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

C15H12Cl2O — CID 63528027

IUPAC1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O/c1-10-6-7-12(8-14(10)17)15(18)9-11-4-2-3-5-13(11)16/h2-8H,9H2,1H3
InChIKeyNMMLZUNXKIGKAE-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.73
Rot. Bonds3

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

1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone (PubChem CID 63528027) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
PubChem CID63528027
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O/c1-10-6-7-12(8-14(10)17)15(18)9-11-4-2-3-5-13(11)16/h2-8H,9H2,1H3
InChIKeyNMMLZUNXKIGKAE-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

2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 115790146
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493
1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethanone
CID 63528907
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 102857168
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906
5-[2-(2-chlorophenyl)acetyl]-1,3-dihydrobenzimidazol-2-one
CID 43338651
2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone
CID 62030602
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 114968547
2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid
CID 70494068
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone (CID 63528027) is 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone is Cc1ccc(C(=O)Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone?
The InChIKey is NMMLZUNXKIGKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c1-10-6-7-12(8-14(10)17)15(18)9-11-4-2-3-5-13(11)16/h2-8H,9H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone?
1-(3-chloro-4-methylphenyl)-2-(2-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-4-methylphenyl)-2-(2-chlorophenyl)ethanone is sourced from PubChem (CID 63528027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).