(2S)-2-(3-benzoylphenyl)propanoic acid

C16H14O3 — CID 667550

IUPAC(2S)-2-(3-benzoylphenyl)propanoic acid
SMILESC[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
InChIKeyDKYWVDODHFEZIM-NSHDSACASA-N
MW254.29 g/mol
LogP3.11
Rot. Bonds4

About (2S)-2-(3-benzoylphenyl)propanoic acid

(2S)-2-(3-benzoylphenyl)propanoic acid (PubChem CID 667550) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S)-2-(3-benzoylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-benzoylphenyl)propanoic acid
PubChem CID667550
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name(2S)-2-(3-benzoylphenyl)propanoic acid
SMILESC[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
InChIKeyDKYWVDODHFEZIM-NSHDSACASA-N
XLogP3.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-benzoylphenyl)propanoic acid?
The IUPAC name of (2S)-2-(3-benzoylphenyl)propanoic acid (CID 667550) is (2S)-2-(3-benzoylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-(3-benzoylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-(3-benzoylphenyl)propanoic acid is C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of (2S)-2-(3-benzoylphenyl)propanoic acid?
The InChIKey is DKYWVDODHFEZIM-NSHDSACASA-N. The full InChI is InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-benzoylphenyl)propanoic acid?
(2S)-2-(3-benzoylphenyl)propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-benzoylphenyl)propanoic acid is sourced from PubChem (CID 667550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).