3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid

C15H14O3 — CID 82293341

IUPAC3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid
SMILESCc1ccc(-c2cc(C(=O)O)ccc2O)c(C)c1
InChIInChI=1S/C15H14O3/c1-9-3-5-12(10(2)7-9)13-8-11(15(17)18)4-6-14(13)16/h3-8,16H,1-2H3,(H,17,18)
InChIKeyGJCPWLGFMVDSQX-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.37
Rot. Bonds2

About 3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid

3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid (PubChem CID 82293341) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid
PubChem CID82293341
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid
SMILESCc1ccc(-c2cc(C(=O)O)ccc2O)c(C)c1
InChIInChI=1S/C15H14O3/c1-9-3-5-12(10(2)7-9)13-8-11(15(17)18)4-6-14(13)16/h3-8,16H,1-2H3,(H,17,18)
InChIKeyGJCPWLGFMVDSQX-UHFFFAOYSA-N
XLogP3.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
3-chloro-4-(2,4-dimethylphenyl)benzoic acid
CID 81307407
4-amino-2-(2,4-dimethylphenyl)phenol
CID 22706633
3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
CID 114103412
8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407165
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
CID 53226634
2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 30106047
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
3-hydroxy-4-methylbenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 160831829
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid?
The IUPAC name of 3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid (CID 82293341) is 3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid?
The canonical SMILES for 3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid is Cc1ccc(-c2cc(C(=O)O)ccc2O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid?
The InChIKey is GJCPWLGFMVDSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-9-3-5-12(10(2)7-9)13-8-11(15(17)18)4-6-14(13)16/h3-8,16H,1-2H3,(H,17,18).
What are the key properties of 3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid?
3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-4-hydroxybenzoic acid is sourced from PubChem (CID 82293341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).