2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone

C16H14Cl2O — CID 114026090

IUPAC2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O/c1-10-4-3-5-11(2)16(10)15(19)9-12-6-7-13(17)14(18)8-12/h3-8H,9H2,1-2H3
InChIKeyQKFRTYUAMKCTHH-UHFFFAOYSA-N
MW293.19 g/mol
LogP5.04
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone

2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone (PubChem CID 114026090) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
PubChem CID114026090
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2O/c1-10-4-3-5-11(2)16(10)15(19)9-12-6-7-13(17)14(18)8-12/h3-8H,9H2,1-2H3
InChIKeyQKFRTYUAMKCTHH-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.19
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391
2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 62621745
2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880750
2-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63554876
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
2-(4-acetylphenyl)-1-(2,6-dimethylphenyl)ethanone
CID 176753519
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
CID 113365492
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanone
CID 114012654
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide
CID 61118547
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
1-(5-chlorofuran-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 106687701

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone (CID 114026090) is 2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone is Cc1cccc(C)c1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone?
The InChIKey is QKFRTYUAMKCTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-10-4-3-5-11(2)16(10)15(19)9-12-6-7-13(17)14(18)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone?
2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone has a molecular weight of 293.19 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 114026090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).