2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid

C24H24O2 — CID 22675489

IUPAC2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid
SMILESCc1cc(CCc2ccccc2CCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C24H24O2/c1-18-17-20(13-16-23(18)24(25)26)12-15-22-10-6-5-9-21(22)14-11-19-7-3-2-4-8-19/h2-10,13,16-17H,11-12,14-15H2,1H3,(H,25,26)
InChIKeyZCFJUBCQUMKDAU-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.26
Rot. Bonds7

About 2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid

2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid (PubChem CID 22675489) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid
PubChem CID22675489
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid
SMILESCc1cc(CCc2ccccc2CCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C24H24O2/c1-18-17-20(13-16-23(18)24(25)26)12-15-22-10-6-5-9-21(22)14-11-19-7-3-2-4-8-19/h2-10,13,16-17H,11-12,14-15H2,1H3,(H,25,26)
InChIKeyZCFJUBCQUMKDAU-UHFFFAOYSA-N
XLogP5.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(2-phenylethyl)benzoic acid
CID 71133874
5-chloro-2-methyl-4-(2-phenylethyl)benzoic acid
CID 59626118
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
4-amino-2-(2-phenylethyl)benzoic acid
CID 66690543
2-[2-(3-carboxyphenyl)ethyl]benzoic acid
CID 22404884
2-(2,4-dimethylanilino)-4-(2-phenylethyl)benzoic acid
CID 68957315
2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid
CID 70281448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid?
The IUPAC name of 2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid (CID 22675489) is 2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid.
What is the SMILES notation for 2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid?
The canonical SMILES for 2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid is Cc1cc(CCc2ccccc2CCc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid?
The InChIKey is ZCFJUBCQUMKDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c1-18-17-20(13-16-23(18)24(25)26)12-15-22-10-6-5-9-21(22)14-11-19-7-3-2-4-8-19/h2-10,13,16-17H,11-12,14-15H2,1H3,(H,25,26).
What are the key properties of 2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid?
2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid has a molecular weight of 344.45 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[2-(2-phenylethyl)phenyl]ethyl]benzoic acid is sourced from PubChem (CID 22675489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).