1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone

C15H13ClO — CID 172646458

IUPAC1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2Cl)cc1C
InChIInChI=1S/C15H13ClO/c1-10-9-12(7-8-13(10)11(2)17)14-5-3-4-6-15(14)16/h3-9H,1-2H3
InChIKeyDDDSSRWKSSWPDD-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.52
Rot. Bonds2

About 1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone

1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone (PubChem CID 172646458) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
PubChem CID172646458
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2Cl)cc1C
InChIInChI=1S/C15H13ClO/c1-10-9-12(7-8-13(10)11(2)17)14-5-3-4-6-15(14)16/h3-9H,1-2H3
InChIKeyDDDSSRWKSSWPDD-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
4-(2-chlorophenyl)-2-methylphenol
CID 53218875
1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone
CID 82769802
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
1-(2-methyl-4-quinolin-4-ylphenyl)ethanone
CID 142581738
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 143413176
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
CID 79711690

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone (CID 172646458) is 1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone is CC(=O)c1ccc(-c2ccccc2Cl)cc1C.
What is the InChIKey of 1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone?
The InChIKey is DDDSSRWKSSWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-10-9-12(7-8-13(10)11(2)17)14-5-3-4-6-15(14)16/h3-9H,1-2H3.
What are the key properties of 1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone?
1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone has a molecular weight of 244.72 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone is sourced from PubChem (CID 172646458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).