1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone

C16H14Cl2O — CID 55224701

IUPAC1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2O/c1-10-6-7-11(2)12(8-10)9-15(19)16-13(17)4-3-5-14(16)18/h3-8H,9H2,1-2H3
InChIKeyJYQPGBLIZJWJRN-UHFFFAOYSA-N
MW293.19 g/mol
LogP5.04
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone

1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 55224701) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID55224701
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2O/c1-10-6-7-11(2)12(8-10)9-15(19)16-13(17)4-3-5-14(16)18/h3-8H,9H2,1-2H3
InChIKeyJYQPGBLIZJWJRN-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

1-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527350
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone
CID 106876875
1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102762888
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492510
1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 116548661
1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene
CID 22768598
2,3-dichloro-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 23019861
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
CID 63411827
1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 114029871
3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 115955919

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone (CID 55224701) is 1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is JYQPGBLIZJWJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-10-6-7-11(2)12(8-10)9-15(19)16-13(17)4-3-5-14(16)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone?
1-(2,6-dichlorophenyl)-2-(2,5-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 1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 55224701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).