(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid

C16H13ClO3 — CID 1483936

IUPAC(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
SMILESO=C(C[C@@H](C(=O)O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H13ClO3/c17-13-8-6-11(7-9-13)14(16(19)20)10-15(18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1
InChIKeyPMMZTHWHCZULAV-CQSZACIVSA-N
MW288.73 g/mol
LogP3.78
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid

(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid (PubChem CID 1483936) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
PubChem CID1483936
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
SMILESO=C(C[C@@H](C(=O)O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H13ClO3/c17-13-8-6-11(7-9-13)14(16(19)20)10-15(18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1
InChIKeyPMMZTHWHCZULAV-CQSZACIVSA-N
XLogP3.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate
CID 6987093
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]propanedioic acid
CID 67292277
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
1-(4-chlorophenyl)-3-oxo-3-phenylpropane-1-sulfonic acid
CID 58077556
3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
CID 15639390
(2S)-2-(3-bromophenyl)-4-(4-chlorophenyl)-4-oxobutanoic acid
CID 1483970
1-(4-chlorophenyl)-4-phenyl-2-pyridin-4-ylbutane-1,4-dione
CID 18939015
4-(4-chlorophenyl)-2-(3-fluorophenyl)-4-oxobutanoic acid
CID 2764251
3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
CID 70489362

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid (CID 1483936) is (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid is O=C(C[C@@H](C(=O)O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid?
The InChIKey is PMMZTHWHCZULAV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-13-8-6-11(7-9-13)14(16(19)20)10-15(18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid?
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid has a molecular weight of 288.73 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid is sourced from PubChem (CID 1483936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).