2-methyl-4-(2-phenylethyl)benzoic acid

C16H16O2 — CID 71133874

IUPAC2-methyl-4-(2-phenylethyl)benzoic acid
SMILESCc1cc(CCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C16H16O2/c1-12-11-14(9-10-15(12)16(17)18)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,17,18)
InChIKeyOSQQBLJNNFVEGU-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.48
Rot. Bonds4

About 2-methyl-4-(2-phenylethyl)benzoic acid

2-methyl-4-(2-phenylethyl)benzoic acid (PubChem CID 71133874) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylethyl)benzoic acid.

Molecular Properties

Compound Name2-methyl-4-(2-phenylethyl)benzoic acid
PubChem CID71133874
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-methyl-4-(2-phenylethyl)benzoic acid
SMILESCc1cc(CCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C16H16O2/c1-12-11-14(9-10-15(12)16(17)18)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,17,18)
InChIKeyOSQQBLJNNFVEGU-UHFFFAOYSA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid
CID 22675489
4-(hydroxymethyl)-2-methylbenzoic acid
CID 23212172
4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzoic acid
CID 70358650
2-(2-methylanilino)-4-(2-phenylethyl)benzoic acid
CID 68963998
4-hexadecyl-2-methylbenzoic acid
CID 57019926
2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67342308
2-methyl-4-(3-phenylpropoxy)benzoic acid
CID 81293485
5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid
CID 59626118
2-(2,4-dimethylanilino)-4-(2-phenylethyl)benzoic acid
CID 68957315
2-methyl-4-[3-oxo-5-(4-propan-2-ylphenyl)pentyl]benzoic acid
CID 70377931
2-(2,5-dimethylpyrrol-1-yl)-4-(3-phenylpropyl)benzoic acid
CID 161230600
4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
CID 171715325

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylethyl)benzoic acid?
The IUPAC name of 2-methyl-4-(2-phenylethyl)benzoic acid (CID 71133874) is 2-methyl-4-(2-phenylethyl)benzoic acid.
What is the SMILES notation for 2-methyl-4-(2-phenylethyl)benzoic acid?
The canonical SMILES for 2-methyl-4-(2-phenylethyl)benzoic acid is Cc1cc(CCc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-(2-phenylethyl)benzoic acid?
The InChIKey is OSQQBLJNNFVEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-11-14(9-10-15(12)16(17)18)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,17,18).
What are the key properties of 2-methyl-4-(2-phenylethyl)benzoic acid?
2-methyl-4-(2-phenylethyl)benzoic acid has a molecular weight of 240.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylethyl)benzoic acid is sourced from PubChem (CID 71133874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).