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

C16H14Cl2O — CID 115792475

IUPAC1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2O/c1-10-4-3-5-11(2)13(10)9-16(19)14-8-12(17)6-7-15(14)18/h3-8H,9H2,1-2H3
InChIKeyBXQJWOHQFUGGHJ-UHFFFAOYSA-N
MW293.19 g/mol
LogP5.04
Rot. Bonds3

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

1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone (PubChem CID 115792475) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
PubChem CID115792475
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2O/c1-10-4-3-5-11(2)13(10)9-16(19)14-8-12(17)6-7-15(14)18/h3-8H,9H2,1-2H3
InChIKeyBXQJWOHQFUGGHJ-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-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966275
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 106865109
1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792581
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
CID 81046039
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115792574
1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 63410206

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone (CID 115792475) is 1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone is Cc1cccc(C)c1CC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is BXQJWOHQFUGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-10-4-3-5-11(2)13(10)9-16(19)14-8-12(17)6-7-15(14)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone?
1-(2,5-dichlorophenyl)-2-(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 1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 115792475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).