2-(3-benzylphenyl)acetic acid

C15H14O2 — CID 22590987

IUPAC2-(3-benzylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C15H14O2/c16-15(17)11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,16,17)
InChIKeyCMQOTSXJIXLJAJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.90
Rot. Bonds4

About 2-(3-benzylphenyl)acetic acid

2-(3-benzylphenyl)acetic acid (PubChem CID 22590987) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(3-benzylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-benzylphenyl)acetic acid
PubChem CID22590987
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-(3-benzylphenyl)acetic acid
SMILESO=C(O)Cc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C15H14O2/c16-15(17)11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,16,17)
InChIKeyCMQOTSXJIXLJAJ-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
2-[3-[(2-nitrophenyl)methyl]phenyl]acetic acid
CID 71231546
2-phenylacetic acid;dihydrate
CID 168967514
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
tris(2-phenylacetic acid);rhodium
CID 11168112
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-(2-aminoethyl)phenyl]acetic acid
CID 18403500
2-[3-(3-methyl-2-oxobutyl)phenyl]acetic acid
CID 21340968
calcium;hydride;2-phenylacetic acid
CID 173132712
formaldehyde;2-phenylacetic acid
CID 70638018
2-[3-(2-phenylethynyl)phenyl]acetic acid
CID 69085566

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylphenyl)acetic acid?
The IUPAC name of 2-(3-benzylphenyl)acetic acid (CID 22590987) is 2-(3-benzylphenyl)acetic acid.
What is the SMILES notation for 2-(3-benzylphenyl)acetic acid?
The canonical SMILES for 2-(3-benzylphenyl)acetic acid is O=C(O)Cc1cccc(Cc2ccccc2)c1.
What is the InChIKey of 2-(3-benzylphenyl)acetic acid?
The InChIKey is CMQOTSXJIXLJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-15(17)11-14-8-4-7-13(10-14)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,16,17).
What are the key properties of 2-(3-benzylphenyl)acetic acid?
2-(3-benzylphenyl)acetic acid has a molecular weight of 226.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylphenyl)acetic acid is sourced from PubChem (CID 22590987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).