1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone

C16H15ClO — CID 81323175

IUPAC1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO/c1-11-3-5-13(6-4-11)9-16(18)14-7-12(2)8-15(17)10-14/h3-8,10H,9H2,1-2H3
InChIKeyVBTQHZVCKSHJLO-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.38
Rot. Bonds3

About 1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone

1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone (PubChem CID 81323175) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
PubChem CID81323175
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO/c1-11-3-5-13(6-4-11)9-16(18)14-7-12(2)8-15(17)10-14/h3-8,10H,9H2,1-2H3
InChIKeyVBTQHZVCKSHJLO-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974435
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412246
2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone
CID 81323258
1-(3-chloro-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81324031
1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968359
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 81316894
1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone
CID 116597278
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone (CID 81323175) is 1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2cc(C)cc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is VBTQHZVCKSHJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-11-3-5-13(6-4-11)9-16(18)14-7-12(2)8-15(17)10-14/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone?
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone has a molecular weight of 258.75 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 81323175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).