2-methyl-3,4-diphenylbenzoic acid

C20H16O2 — CID 118554966

IUPAC2-methyl-3,4-diphenylbenzoic acid
SMILESCc1c(C(=O)O)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H16O2/c1-14-17(20(21)22)12-13-18(15-8-4-2-5-9-15)19(14)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22)
InChIKeyYZTJHRBSOITNFD-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.03
Rot. Bonds3

About 2-methyl-3,4-diphenylbenzoic acid

2-methyl-3,4-diphenylbenzoic acid (PubChem CID 118554966) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-3,4-diphenylbenzoic acid.

Molecular Properties

Compound Name2-methyl-3,4-diphenylbenzoic acid
PubChem CID118554966
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name2-methyl-3,4-diphenylbenzoic acid
SMILESCc1c(C(=O)O)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H16O2/c1-14-17(20(21)22)12-13-18(15-8-4-2-5-9-15)19(14)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22)
InChIKeyYZTJHRBSOITNFD-UHFFFAOYSA-N
XLogP5.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-phenylbenzene-1,3-dicarboxylic acid;propan-2-one
CID 157214158
2-methyl-4-phenyl-3-(trifluoromethyl)benzoic acid
CID 67541759
2-hydroxy-3-methyl-4-(2-phenylphenyl)benzoic acid
CID 19102967
1-fluoro-2-methyl-3,4-diphenylbenzene
CID 90266529
2,3-dimethylterephthalic acid
CID 158313107
5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid
CID 175443870
2-hydroxy-4-methyl-3-phenylbenzoic acid
CID 71254300
2-butyl-3-methyl-4-phenylbenzoic acid
CID 175125661
3-(3,4-dicarboxyphenyl)-4-phenylphthalic acid
CID 54120175
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
4-[2-(4-carboxy-2,3-dimethylbenzoyl)benzoyl]-2,3-dimethylbenzoic acid
CID 141342382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-diphenylbenzoic acid?
The IUPAC name of 2-methyl-3,4-diphenylbenzoic acid (CID 118554966) is 2-methyl-3,4-diphenylbenzoic acid.
What is the SMILES notation for 2-methyl-3,4-diphenylbenzoic acid?
The canonical SMILES for 2-methyl-3,4-diphenylbenzoic acid is Cc1c(C(=O)O)ccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-methyl-3,4-diphenylbenzoic acid?
The InChIKey is YZTJHRBSOITNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-14-17(20(21)22)12-13-18(15-8-4-2-5-9-15)19(14)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22).
What are the key properties of 2-methyl-3,4-diphenylbenzoic acid?
2-methyl-3,4-diphenylbenzoic acid has a molecular weight of 288.35 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-diphenylbenzoic acid is sourced from PubChem (CID 118554966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).