2-(3-methyl-4-phenylphenyl)acetic acid

C15H14O2 — CID 18793942

IUPAC2-(3-methyl-4-phenylphenyl)acetic acid
SMILESCc1cc(CC(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C15H14O2/c1-11-9-12(10-15(16)17)7-8-14(11)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17)
InChIKeyFLBIWICQXZQGEW-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.29
Rot. Bonds3

About 2-(3-methyl-4-phenylphenyl)acetic acid

2-(3-methyl-4-phenylphenyl)acetic acid (PubChem CID 18793942) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(3-methyl-4-phenylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-4-phenylphenyl)acetic acid
PubChem CID18793942
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name2-(3-methyl-4-phenylphenyl)acetic acid
SMILESCc1cc(CC(=O)O)ccc1-c1ccccc1
InChIInChI=1S/C15H14O2/c1-11-9-12(10-15(16)17)7-8-14(11)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17)
InChIKeyFLBIWICQXZQGEW-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene
CID 146002696
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426
carbamic acid;3-methyl-4-phenylaniline
CID 175552466
2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid
CID 175958924
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
2-(3,5-diphenylphenyl)acetic acid
CID 20542723
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496
2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid
CID 143366044
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
sodium;hydride;1-hydroxy-3-(3-methyl-4-phenylphenyl)propane-1-sulfonic acid
CID 173200450
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-phenylphenyl)acetic acid?
The IUPAC name of 2-(3-methyl-4-phenylphenyl)acetic acid (CID 18793942) is 2-(3-methyl-4-phenylphenyl)acetic acid.
What is the SMILES notation for 2-(3-methyl-4-phenylphenyl)acetic acid?
The canonical SMILES for 2-(3-methyl-4-phenylphenyl)acetic acid is Cc1cc(CC(=O)O)ccc1-c1ccccc1.
What is the InChIKey of 2-(3-methyl-4-phenylphenyl)acetic acid?
The InChIKey is FLBIWICQXZQGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-11-9-12(10-15(16)17)7-8-14(11)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-(3-methyl-4-phenylphenyl)acetic acid?
2-(3-methyl-4-phenylphenyl)acetic acid has a molecular weight of 226.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-phenylphenyl)acetic acid is sourced from PubChem (CID 18793942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).