2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid

C18H14O4 — CID 123626157

IUPAC2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1-c1ccc2cc(O)ccc2c1
InChIInChI=1S/C18H14O4/c1-22-16-4-2-3-15(18(20)21)17(16)13-6-5-12-10-14(19)8-7-11(12)9-13/h2-10,19H,1H3,(H,20,21)
InChIKeyQLNWGMAIBKVZFV-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.92
Rot. Bonds3

About 2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid

2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid (PubChem CID 123626157) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid
PubChem CID123626157
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1-c1ccc2cc(O)ccc2c1
InChIInChI=1S/C18H14O4/c1-22-16-4-2-3-15(18(20)21)17(16)13-6-5-12-10-14(19)8-7-11(12)9-13/h2-10,19H,1H3,(H,20,21)
InChIKeyQLNWGMAIBKVZFV-UHFFFAOYSA-N
XLogP3.92
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928
3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
CID 116810848
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
6-(4-hydroxy-2-methoxyphenyl)naphthalen-2-ol
CID 10125342
6-(2,5-dimethoxyphenyl)naphthalen-2-ol;2,2,2-trifluoroacetic acid
CID 167927166
3-(4-hydroxyphenyl)-2-methoxybenzoic acid
CID 53224993
3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
CID 142659865
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
2-(6-hydroxynaphthalen-2-yl)benzene-1,3-dicarbonitrile
CID 142793758
5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid
CID 82107186

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid?
The IUPAC name of 2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid (CID 123626157) is 2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid.
What is the SMILES notation for 2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid?
The canonical SMILES for 2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1-c1ccc2cc(O)ccc2c1.
What is the InChIKey of 2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid?
The InChIKey is QLNWGMAIBKVZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-22-16-4-2-3-15(18(20)21)17(16)13-6-5-12-10-14(19)8-7-11(12)9-13/h2-10,19H,1H3,(H,20,21).
What are the key properties of 2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid?
2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid has a molecular weight of 294.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid is sourced from PubChem (CID 123626157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).