2-(3-benzoyl-4-chlorophenyl)propanoic acid

C16H13ClO3 — CID 135074554

IUPAC2-(3-benzoyl-4-chlorophenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(Cl)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H13ClO3/c1-10(16(19)20)12-7-8-14(17)13(9-12)15(18)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)
InChIKeyURSYYZNMWCWNSE-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.76
Rot. Bonds4

About 2-(3-benzoyl-4-chlorophenyl)propanoic acid

2-(3-benzoyl-4-chlorophenyl)propanoic acid (PubChem CID 135074554) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-(3-benzoyl-4-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-benzoyl-4-chlorophenyl)propanoic acid
PubChem CID135074554
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name2-(3-benzoyl-4-chlorophenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(Cl)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H13ClO3/c1-10(16(19)20)12-7-8-14(17)13(9-12)15(18)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)
InChIKeyURSYYZNMWCWNSE-UHFFFAOYSA-N
XLogP3.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
CID 66964934
CID 66964934
CID 157056025
CID 157056025
[2-chloro-5-(methylamino)phenyl]-phenylmethanone
CID 21314189
[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442
2-(3-benzoylphenyl)propanoic acid;phenol
CID 161129325
2-[4-chloro-3-(dimethylamino)phenyl]propanoic acid
CID 115113110
2-(3-benzoylphenyl)propanoic acid;(E)-but-2-enedioic acid
CID 67837917
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
2-(3-chloro-4-propan-2-ylphenyl)propanoic acid
CID 84791168
[2-amino-5-(1-hydroxyethyl)phenyl]-phenylmethanone
CID 154157308

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-4-chlorophenyl)propanoic acid?
The IUPAC name of 2-(3-benzoyl-4-chlorophenyl)propanoic acid (CID 135074554) is 2-(3-benzoyl-4-chlorophenyl)propanoic acid.
What is the SMILES notation for 2-(3-benzoyl-4-chlorophenyl)propanoic acid?
The canonical SMILES for 2-(3-benzoyl-4-chlorophenyl)propanoic acid is CC(C(=O)O)c1ccc(Cl)c(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoyl-4-chlorophenyl)propanoic acid?
The InChIKey is URSYYZNMWCWNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-10(16(19)20)12-7-8-14(17)13(9-12)15(18)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(3-benzoyl-4-chlorophenyl)propanoic acid?
2-(3-benzoyl-4-chlorophenyl)propanoic acid has a molecular weight of 288.73 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoyl-4-chlorophenyl)propanoic acid is sourced from PubChem (CID 135074554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).