4-hydroxy-3-methylnaphthalene-2-carboxylic acid

C12H10O3 — CID 58932971

IUPAC4-hydroxy-3-methylnaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)cc2ccccc2c1O
InChIInChI=1S/C12H10O3/c1-7-10(12(14)15)6-8-4-2-3-5-9(8)11(7)13/h2-6,13H,1H3,(H,14,15)
InChIKeyJFAZWJRLFLHLQP-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.55
Rot. Bonds1

About 4-hydroxy-3-methylnaphthalene-2-carboxylic acid

4-hydroxy-3-methylnaphthalene-2-carboxylic acid (PubChem CID 58932971) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-hydroxy-3-methylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-methylnaphthalene-2-carboxylic acid
PubChem CID58932971
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-hydroxy-3-methylnaphthalene-2-carboxylic acid
SMILESCc1c(C(=O)O)cc2ccccc2c1O
InChIInChI=1S/C12H10O3/c1-7-10(12(14)15)6-8-4-2-3-5-9(8)11(7)13/h2-6,13H,1H3,(H,14,15)
InChIKeyJFAZWJRLFLHLQP-UHFFFAOYSA-N
XLogP2.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-3-methylnaphthalene-2-carboxylic 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

3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;propan-2-one
CID 69422292
benzo[a]anthracene-9,10-dicarboxylic acid
CID 175115452
calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride
CID 173370957
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;oxalic acid
CID 69083270
4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 3018314
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methylnaphthalene-2-carboxylic acid?
The IUPAC name of 4-hydroxy-3-methylnaphthalene-2-carboxylic acid (CID 58932971) is 4-hydroxy-3-methylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-methylnaphthalene-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-methylnaphthalene-2-carboxylic acid is Cc1c(C(=O)O)cc2ccccc2c1O.
What is the InChIKey of 4-hydroxy-3-methylnaphthalene-2-carboxylic acid?
The InChIKey is JFAZWJRLFLHLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-7-10(12(14)15)6-8-4-2-3-5-9(8)11(7)13/h2-6,13H,1H3,(H,14,15).
What are the key properties of 4-hydroxy-3-methylnaphthalene-2-carboxylic acid?
4-hydroxy-3-methylnaphthalene-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 58932971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).