1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid

C18H14O3 — CID 67376724

IUPAC1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid
SMILESCc1ccccc1-c1cc2ccccc2c(O)c1C(=O)O
InChIInChI=1S/C18H14O3/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)17(19)16(15)18(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyHYHMEYSOLJDNOB-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.22
Rot. Bonds2

About 1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid

1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid (PubChem CID 67376724) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid
PubChem CID67376724
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid
SMILESCc1ccccc1-c1cc2ccccc2c(O)c1C(=O)O
InChIInChI=1S/C18H14O3/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)17(19)16(15)18(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyHYHMEYSOLJDNOB-UHFFFAOYSA-N
XLogP4.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 171127461
6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol
CID 134256975
2,3-dimethyl-5-(2-methylphenyl)terephthalic acid
CID 87134635
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
1-amino-3-methylnaphthalene-2-carboxylic acid
CID 45089580
2-methylbenzene-1,3-dicarboxylic acid;1-(2-methylphenyl)naphthalene
CID 174256313
2-(2,3-dimethylphenyl)anthracene-1-carboxylic acid
CID 88768650
2,4-dimethylnaphthalene-1-carboxylic acid
CID 100912182
2,3,4-trihydroxy-8-methylnaphthalene-1-carboxylic acid
CID 130295390
3-amino-2-methylnaphthalene-1-carboxylic acid
CID 154166226

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid (CID 67376724) is 1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid is Cc1ccccc1-c1cc2ccccc2c(O)c1C(=O)O.
What is the InChIKey of 1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid?
The InChIKey is HYHMEYSOLJDNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)17(19)16(15)18(20)21/h2-10,19H,1H3,(H,20,21).
What are the key properties of 1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid?
1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 67376724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).