1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one

C17H15ClO2 — CID 118237523

IUPAC1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClO2/c1-11-3-4-14(10-12(2)19)16(9-11)17(20)13-5-7-15(18)8-6-13/h3-9H,10H2,1-2H3
InChIKeyHLTNJBKUNVZVEZ-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.01
Rot. Bonds4

About 1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one

1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one (PubChem CID 118237523) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one
PubChem CID118237523
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClO2/c1-11-3-4-14(10-12(2)19)16(9-11)17(20)13-5-7-15(18)8-6-13/h3-9H,10H2,1-2H3
InChIKeyHLTNJBKUNVZVEZ-UHFFFAOYSA-N
XLogP4.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-methylphenyl)propan-2-one
CID 58483794
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970869
[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 3101530
(2,5-dimethylphenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 7891565
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657750
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chlorobenzoate
CID 882294
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one?
The IUPAC name of 1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one (CID 118237523) is 1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one.
What is the SMILES notation for 1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one?
The canonical SMILES for 1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one is CC(=O)Cc1ccc(C)cc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one?
The InChIKey is HLTNJBKUNVZVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-11-3-4-14(10-12(2)19)16(9-11)17(20)13-5-7-15(18)8-6-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one?
1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one has a molecular weight of 286.76 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorobenzoyl)-4-methylphenyl]propan-2-one is sourced from PubChem (CID 118237523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).