5-(3-chlorophenyl)-4-methylpentan-2-one

C12H15ClO — CID 64721392

IUPAC5-(3-chlorophenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO/c1-9(6-10(2)14)7-11-4-3-5-12(13)8-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyKHIJGSWVBRLJRG-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.50
Rot. Bonds4

About 5-(3-chlorophenyl)-4-methylpentan-2-one

5-(3-chlorophenyl)-4-methylpentan-2-one (PubChem CID 64721392) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-methylpentan-2-one
PubChem CID64721392
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name5-(3-chlorophenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO/c1-9(6-10(2)14)7-11-4-3-5-12(13)8-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyKHIJGSWVBRLJRG-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,5-dichlorophenyl)-4-methylpentan-2-one
CID 83924807
1-chloro-3-(3-chloro-2-methylpropyl)benzene
CID 64665246
1-(3-chlorophenyl)propan-2-one
CID 2734097
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983
methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate
CID 174512826
1-(3-chlorophenyl)-4-methylhexan-2-one
CID 62621128
methyl 6-(3-chlorophenyl)-5-methylhexanoate
CID 174399912
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide
CID 81075790
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(3-chlorophenyl)-4-methylpentan-2-one (CID 64721392) is 5-(3-chlorophenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-methylpentan-2-one is CC(=O)CC(C)Cc1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-methylpentan-2-one?
The InChIKey is KHIJGSWVBRLJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-9(6-10(2)14)7-11-4-3-5-12(13)8-11/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-4-methylpentan-2-one?
5-(3-chlorophenyl)-4-methylpentan-2-one has a molecular weight of 210.70 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-methylpentan-2-one is sourced from PubChem (CID 64721392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).