ChemFOnt: Showing chemical card for 8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid (CFc000142202)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 23:18:55 UTC

Chemfont ID

CFc000142202

Molecule Identification

Common Name

8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid

Definition

8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. Based on a literature review a significant number of articles have been published on 8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
8-Hydroxy-1-methoxy-9H-carbazole-3-carboxylate	Generator

Chemical Formula

C₁₄H₁₁NO₄

Average Molecular Weight

257.245

Monoisotopic Molecular Weight

257.068807838

IUPAC Name

8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid

Traditional Name

8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC2=C1NC1=C2C=CC=C1O)C(O)=O

InChI Identifier

InChI=1S/C14H11NO4/c1-19-11-6-7(14(17)18)5-9-8-3-2-4-10(16)12(8)15-13(9)11/h2-6,15-16H,1H3,(H,17,18)

InChI Key

ALJYXQJPBNWZTI-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Carbazoles

Direct Parent

Carbazoles

Alternative Parents

Substituents

Carbazole
Indolecarboxylic acid
Indolecarboxylic acid derivative
M-methoxybenzoic acid or derivatives
Hydroxyindole
Indole
Anisole
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Heteroaromatic compound
Pyrrole
Carboxylic acid derivative
Carboxylic acid
Ether
Azacycle
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organopnictogen compound
Organooxygen compound
Organic nitrogen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.26 g/L	ALOGPS
logP	2.49	ALOGPS
logP	2.29	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	3.62	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	82.55 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	69.17 m³·mol⁻¹	ChemAxon
Polarizability	26.1 Å³	ChemAxon
Number of Rings	3	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

HMDB0161794

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid (CFc000142202)

MOL for CFc000142202 (8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid)

3D MOL for CFc000142202 (8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid)

3D SDF for CFc000142202 (8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid)

3D-SDF for CFc000142202 (8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid)

PDB for CFc000142202 (8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid)

3D PDB for CFc000142202 (8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid)

SMILES for CFc000142202 (8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid)

INCHI for CFc000142202 (8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid)

Structure for CFc000142202 (8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid)

3D Structure for CFc000142202 (8-hydroxy-1-methoxy-9H-carbazole-3-carboxylic acid)