ChemFOnt: Showing chemical card for (2-Naphthalenyloxy)acetic acid (CFc000013811)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:02:18 UTC

Chemfont ID

CFc000013811

Molecule Identification

Common Name

(2-Naphthalenyloxy)acetic acid

Definition

Plant growth regulator. (2-Naphthalenyloxy)acetic acid is used for control of preharvest fruit drop especially on grapes, pineapples, strawberries and tomatoe

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2-Naphthyloxy)acetic acid	ChEBI
(beta-Naphthalenyloxy)acetic acid	ChEBI
2-Naphthoxyacetic acid	ChEBI
2-NOXA	ChEBI
beta-Naphthoxyacetic acid	ChEBI
beta-Naphthyloxyacetic acid	ChEBI
NOXA	ChEBI
O-(2-Naphthyl)glycolic acid	ChEBI
(2-Naphthyloxy)acetate	Generator
(b-Naphthalenyloxy)acetate	Generator
(b-Naphthalenyloxy)acetic acid	Generator
(beta-Naphthalenyloxy)acetate	Generator
(Β-naphthalenyloxy)acetate	Generator
(Β-naphthalenyloxy)acetic acid	Generator
2-Naphthoxyacetate	Generator
b-Naphthoxyacetate	Generator
b-Naphthoxyacetic acid	Generator
beta-Naphthoxyacetate	Generator
Β-naphthoxyacetate	Generator
Β-naphthoxyacetic acid	Generator
b-Naphthyloxyacetate	Generator
b-Naphthyloxyacetic acid	Generator
beta-Naphthyloxyacetate	Generator
Β-naphthyloxyacetate	Generator
Β-naphthyloxyacetic acid	Generator
O-(2-Naphthyl)glycolate	Generator
(2-Naphthalenyloxy)acetate	Generator
(2-Naphthalenyloxy)-acetic acid	HMDB
(2-Naphthloxy)acetic acid	HMDB
(2-Naphthoxy)acetic acid	HMDB
(2-Naphthyloxy)-acetic acid	HMDB
(2-Naphthyloxy)acetic acid, 8ci, bsi, iso	HMDB
(b-Naphthyloxy)acetic acid	HMDB
(Naphthalen-2-yloxy)acetic acid	HMDB
2-(2-Naphthalenyloxy)-acetic acid	HMDB
2-Naphthalenoxyacetic acid	HMDB
2-Naphthyloxyacetic acid	HMDB
Betapal	HMDB
Betokson	HMDB
Betoxon	HMDB
Glycollic acid 2-naphthyl ether	HMDB
Naphthoxyacetic acid	HMDB
Naphthyloxyacetic acid	HMDB
2-Naphthyloxyacetate	HMDB
(2-Naphthalenyloxy)acetic acid	ChEBI

Chemical Formula

C₁₂H₁₀O₃

Average Molecular Weight

202.206

Monoisotopic Molecular Weight

202.062994186

IUPAC Name

2-(naphthalen-2-yloxy)acetic acid

Traditional Name

NOXA

CAS Registry Number

120-23-0

SMILES

OC(=O)COC1=CC2=CC=CC=C2C=C1

InChI Identifier

InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)

InChI Key

RZCJYMOBWVJQGV-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenoxyacetic acid derivatives. Phenoxyacetic acid derivatives are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Phenoxyacetic acid derivatives

Direct Parent

Phenoxyacetic acid derivatives

Alternative Parents

Substituents

Phenoxyacetate
Naphthalene
Alkyl aryl ether
Monocarboxylic acid or derivatives
Ether
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

naphthyloxyacetic acid (CHEBI:50397 )
Auxins (C18750 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB0032706)
Cell membrane (HMDB: HMDB0032706)

Source

Endogenous

Endogenous (HMDB: HMDB0032706)

Exogenous

Food

Food (HMDB: HMDB0032706)

Exogenous (HMDB: HMDB0032706)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.19 g/L	ALOGPS
logP	2.73	ALOGPS
logP	2.28	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	4	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	55.06 m³·mol⁻¹	ChemAxon
Polarizability	20.85 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0032706

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB010667

KNApSAcK ID

Not Available

Chemspider ID

8115

KEGG Compound ID

C18750

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

8422

PDB ID

Not Available

ChEBI ID

50397

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for (2-Naphthalenyloxy)acetic acid (CFc000013811)

MOL for CFc000013811 ((2-Naphthalenyloxy)acetic acid)

3D MOL for CFc000013811 ((2-Naphthalenyloxy)acetic acid)

3D SDF for CFc000013811 ((2-Naphthalenyloxy)acetic acid)

3D-SDF for CFc000013811 ((2-Naphthalenyloxy)acetic acid)

PDB for CFc000013811 ((2-Naphthalenyloxy)acetic acid)

3D PDB for CFc000013811 ((2-Naphthalenyloxy)acetic acid)

SMILES for CFc000013811 ((2-Naphthalenyloxy)acetic acid)

INCHI for CFc000013811 ((2-Naphthalenyloxy)acetic acid)

Structure for CFc000013811 ((2-Naphthalenyloxy)acetic acid)

3D Structure for CFc000013811 ((2-Naphthalenyloxy)acetic acid)