1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone

C15H11Cl3O — CID 114966275

IUPAC1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESCc1ccc(Cl)cc1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl3O/c1-9-5-6-10(16)7-11(9)15(19)8-12-13(17)3-2-4-14(12)18/h2-7H,8H2,1H3
InChIKeyGILBLDGFSMBZNW-UHFFFAOYSA-N
MW313.61 g/mol
LogP5.38
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone

1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone (PubChem CID 114966275) has the molecular formula C15H11Cl3O and a molecular weight of 313.61 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
PubChem CID114966275
Molecular FormulaC15H11Cl3O
Molecular Weight313.61 g/mol
Exact Mass311.99
IUPAC Name1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESCc1ccc(Cl)cc1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl3O/c1-9-5-6-10(16)7-11(9)15(19)8-12-13(17)3-2-4-14(12)18/h2-7H,8H2,1H3
InChIKeyGILBLDGFSMBZNW-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.61
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
2-(2,6-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 55187917
1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792475
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
1-(5-chloro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966354
1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 63411340
1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 116550897
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone (CID 114966275) is 1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone is Cc1ccc(Cl)cc1C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone?
The InChIKey is GILBLDGFSMBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O/c1-9-5-6-10(16)7-11(9)15(19)8-12-13(17)3-2-4-14(12)18/h2-7H,8H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone?
1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone has a molecular weight of 313.61 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone is sourced from PubChem (CID 114966275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).