(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid

C32H28O6 — CID 159553712

IUPAC(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
SMILESCC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/2C16H14O3/c2*1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2*2-11H,1H3,(H,18,19)/t11-;/m1./s1
InChIKeyMFSJSVNVUDQHLV-RFVHGSKJSA-N
MW508.57 g/mol
LogP6.21
Rot. Bonds8

About (2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid

(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid (PubChem CID 159553712) has the molecular formula C32H28O6 and a molecular weight of 508.57 g/mol. Its IUPAC name is (2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
PubChem CID159553712
Molecular FormulaC32H28O6
Molecular Weight508.57 g/mol
Exact Mass508.19
IUPAC Name(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
SMILESCC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/2C16H14O3/c2*1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2*2-11H,1H3,(H,18,19)/t11-;/m1./s1
InChIKeyMFSJSVNVUDQHLV-RFVHGSKJSA-N
XLogP6.21
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.57
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
CID 66964934
CID 66964934
CID 157056025
CID 157056025
2-(3-benzoylphenyl)propanoic acid;phenol
CID 161129325
2-(3-benzoylphenyl)propanoic acid;(E)-but-2-enedioic acid
CID 67837917
2-(3-benzoylphenyl)propanoic acid;N,N-diethylethanamine
CID 146624799
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871
sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
2-(3-benzoylphenyl)-3-methylbutanoic acid
CID 134119890
2-(3-benzoylphenyl)-N,N-dimethylpropanamide
CID 3042316
propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
CID 129318918
2-(3-benzoylphenyl)propanoic acid;(2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 118272160

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid (CID 159553712) is (2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid is CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of (2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid?
The InChIKey is MFSJSVNVUDQHLV-RFVHGSKJSA-N. The full InChI is InChI=1S/2C16H14O3/c2*1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2*2-11H,1H3,(H,18,19)/t11-;/m1./s1.
What are the key properties of (2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid?
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid has a molecular weight of 508.57 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid is sourced from PubChem (CID 159553712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).