3-(4-chlorophenyl)-1-phenylpentan-1-one

C17H17ClO — CID 11391641

IUPAC3-(4-chlorophenyl)-1-phenylpentan-1-one
SMILESCCC(CC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO/c1-2-13(14-8-10-16(18)11-9-14)12-17(19)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3
InChIKeyPIGYMBPWPJCUAG-UHFFFAOYSA-N
MW272.78 g/mol
LogP5.11
Rot. Bonds5

About 3-(4-chlorophenyl)-1-phenylpentan-1-one

3-(4-chlorophenyl)-1-phenylpentan-1-one (PubChem CID 11391641) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenylpentan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenylpentan-1-one
PubChem CID11391641
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name3-(4-chlorophenyl)-1-phenylpentan-1-one
SMILESCCC(CC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO/c1-2-13(14-8-10-16(18)11-9-14)12-17(19)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3
InChIKeyPIGYMBPWPJCUAG-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.78
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-1-phenylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1,3-diphenylpentan-1-one
CID 11042799
(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
CID 102486648
ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate
CID 11695630
(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
CID 58517183
(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
1,3-bis(4-chlorophenyl)-5-(4-methylphenyl)pentane-1,5-dione
CID 66572947
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892
2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]propanedioic acid
CID 67292277
3-(4-chlorophenyl)-3-(hydroxyamino)-1-phenylpropan-1-one
CID 15639390
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoate
CID 6987093

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-phenylpentan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-phenylpentan-1-one (CID 11391641) is 3-(4-chlorophenyl)-1-phenylpentan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenylpentan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenylpentan-1-one is CCC(CC(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenylpentan-1-one?
The InChIKey is PIGYMBPWPJCUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c1-2-13(14-8-10-16(18)11-9-14)12-17(19)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-phenylpentan-1-one?
3-(4-chlorophenyl)-1-phenylpentan-1-one has a molecular weight of 272.78 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenylpentan-1-one is sourced from PubChem (CID 11391641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).