2-(3-benzylphenyl)propanoic acid

C16H16O2 — CID 10951683

IUPAC2-(3-benzylphenyl)propanoic acid
SMILESCC(C(=O)O)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-12(16(17)18)15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,17,18)
InChIKeyRYYYTOGKTKBJDJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.47
Rot. Bonds4

About 2-(3-benzylphenyl)propanoic acid

2-(3-benzylphenyl)propanoic acid (PubChem CID 10951683) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(3-benzylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-benzylphenyl)propanoic acid
PubChem CID10951683
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(3-benzylphenyl)propanoic acid
SMILESCC(C(=O)O)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-12(16(17)18)15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,17,18)
InChIKeyRYYYTOGKTKBJDJ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylphenyl)propanoic acid?
The IUPAC name of 2-(3-benzylphenyl)propanoic acid (CID 10951683) is 2-(3-benzylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-benzylphenyl)propanoic acid?
The canonical SMILES for 2-(3-benzylphenyl)propanoic acid is CC(C(=O)O)c1cccc(Cc2ccccc2)c1.
What is the InChIKey of 2-(3-benzylphenyl)propanoic acid?
The InChIKey is RYYYTOGKTKBJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12(16(17)18)15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,17,18).
What are the key properties of 2-(3-benzylphenyl)propanoic acid?
2-(3-benzylphenyl)propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylphenyl)propanoic acid is sourced from PubChem (CID 10951683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).