1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone

C15H12Cl2O — CID 55196773

IUPAC1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O/c1-10-4-2-3-5-11(10)8-15(18)13-7-6-12(16)9-14(13)17/h2-7,9H,8H2,1H3
InChIKeyGITDASVPXMOFNN-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.73
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone

1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone (PubChem CID 55196773) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
PubChem CID55196773
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2O/c1-10-4-2-3-5-11(10)8-15(18)13-7-6-12(16)9-14(13)17/h2-7,9H,8H2,1H3
InChIKeyGITDASVPXMOFNN-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone (CID 55196773) is 1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone?
The InChIKey is GITDASVPXMOFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c1-10-4-2-3-5-11(10)8-15(18)13-7-6-12(16)9-14(13)17/h2-7,9H,8H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone?
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)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-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 55196773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).