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

C15H12Cl2O — CID 81323958

IUPAC1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
SMILESCc1cc(Cl)cc(C(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12Cl2O/c1-10-6-12(9-14(17)7-10)15(18)8-11-2-4-13(16)5-3-11/h2-7,9H,8H2,1H3
InChIKeyYYOPOZWZMLVJOH-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.73
Rot. Bonds3

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

1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone (PubChem CID 81323958) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
PubChem CID81323958
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
SMILESCc1cc(Cl)cc(C(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12Cl2O/c1-10-6-12(9-14(17)7-10)15(18)8-11-2-4-13(16)5-3-11/h2-7,9H,8H2,1H3
InChIKeyYYOPOZWZMLVJOH-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
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
1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone
CID 116597278
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
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 81316894
1-(3-chloro-5-methylphenyl)-3-methylbutan-1-one
CID 114962381

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone (CID 81323958) is 1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone is Cc1cc(Cl)cc(C(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone?
The InChIKey is YYOPOZWZMLVJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c1-10-6-12(9-14(17)7-10)15(18)8-11-2-4-13(16)5-3-11/h2-7,9H,8H2,1H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone?
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone has a molecular weight of 279.17 g/mol, XLogP of 4.73, 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-chlorophenyl)ethanone is sourced from PubChem (CID 81323958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).