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

C17H17ClO — CID 58517183

IUPAC(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
SMILESCC[C@@H](CC(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClO/c1-2-13(15-9-6-10-16(18)11-15)12-17(19)14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3/t13-/m0/s1
InChIKeyCXWITJJCWOPMHA-ZDUSSCGKSA-N
MW272.78 g/mol
LogP5.11
Rot. Bonds5

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

(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one (PubChem CID 58517183) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is (3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one.

Molecular Properties

Compound Name(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
PubChem CID58517183
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
SMILESCC[C@@H](CC(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClO/c1-2-13(15-9-6-10-16(18)11-15)12-17(19)14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3/t13-/m0/s1
InChIKeyCXWITJJCWOPMHA-ZDUSSCGKSA-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

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Related Compounds

(3R)-1,3-diphenylpentan-1-one
CID 11042799
3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
CID 86045214
1-(3-methoxyphenyl)-3-phenylpentan-1-one
CID 72785339
(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
CID 102486648
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
(3R)-3-(3-chlorophenyl)-1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-one
CID 71568130
2-[3-(3-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid
CID 66759629
(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one
CID 50901337
(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276
3-[1-(4-chlorophenyl)-1-oxo-5-phenylpentan-3-yl]benzoic acid
CID 19926495
diethyl 2-benzamido-2-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]propanedioate
CID 135063988

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one?
The IUPAC name of (3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one (CID 58517183) is (3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one.
What is the SMILES notation for (3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one?
The canonical SMILES for (3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one is CC[C@@H](CC(=O)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of (3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one?
The InChIKey is CXWITJJCWOPMHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17ClO/c1-2-13(15-9-6-10-16(18)11-15)12-17(19)14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one?
(3S)-3-(3-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 (3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one is sourced from PubChem (CID 58517183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).