2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid

C17H18O3 — CID 14548775

IUPAC2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid
SMILESCc1cc(C(C)(C)c2ccccc2)cc(C(=O)O)c1O
InChIInChI=1S/C17H18O3/c1-11-9-13(10-14(15(11)18)16(19)20)17(2,3)12-7-5-4-6-8-12/h4-10,18H,1-3H3,(H,19,20)
InChIKeyRNVCNYOEVJFCNK-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.72
Rot. Bonds3

About 2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid

2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid (PubChem CID 14548775) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid
PubChem CID14548775
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid
SMILESCc1cc(C(C)(C)c2ccccc2)cc(C(=O)O)c1O
InChIInChI=1S/C17H18O3/c1-11-9-13(10-14(15(11)18)16(19)20)17(2,3)12-7-5-4-6-8-12/h4-10,18H,1-3H3,(H,19,20)
InChIKeyRNVCNYOEVJFCNK-UHFFFAOYSA-N
XLogP3.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic 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

2-[2-carboxy-6-methyl-4-(2-phenylpropan-2-yl)phenyl]-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid
CID 153202560
2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid;zinc;hydrate
CID 67943288
2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid
CID 70427385
3-methyl-2-(phenoxymethoxy)-5-(2-phenylpropan-2-yl)benzoic acid
CID 70362632
zinc bis(2-carboxy-4-(2-phenylpropan-2-yl)phenolate)
CID 70523345
4-[2-(4-carboxy-3-methylphenyl)propan-2-yl]-2-methylbenzoic acid
CID 67542151
2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid
CID 19770533
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
CID 21413982
2-hydroxybenzoic acid;4-hydroxy-3,5-dimethylbenzoic acid
CID 67904664
2-phenylpropan-2-ylbenzene
CID 13065
2-hydroxy-6-methyl-3,5-bis(2-phenylpropan-2-yl)benzoic acid;trihydrate
CID 173352352
cumene;bis(2,6-dimethyl-4-propan-2-ylphenol);4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 143666287

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid (CID 14548775) is 2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid is Cc1cc(C(C)(C)c2ccccc2)cc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid?
The InChIKey is RNVCNYOEVJFCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-9-13(10-14(15(11)18)16(19)20)17(2,3)12-7-5-4-6-8-12/h4-10,18H,1-3H3,(H,19,20).
What are the key properties of 2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid?
2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid is sourced from PubChem (CID 14548775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).