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

C15H11Cl3O — CID 114973852

IUPAC1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
SMILESCc1ccc(Cl)cc1C(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3O/c1-9-2-3-12(17)8-13(9)15(19)7-10-6-11(16)4-5-14(10)18/h2-6,8H,7H2,1H3
InChIKeyBGDCYHPFVDUKLC-UHFFFAOYSA-N
MW313.61 g/mol
LogP5.38
Rot. Bonds3

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

1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone (PubChem CID 114973852) has the molecular formula C15H11Cl3O and a molecular weight of 313.61 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
PubChem CID114973852
Molecular FormulaC15H11Cl3O
Molecular Weight313.61 g/mol
Exact Mass311.99
IUPAC Name1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
SMILESCc1ccc(Cl)cc1C(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl3O/c1-9-2-3-12(17)8-13(9)15(19)7-10-6-11(16)4-5-14(10)18/h2-6,8H,7H2,1H3
InChIKeyBGDCYHPFVDUKLC-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

1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966275
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(2,5-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 65317110
1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973882
2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105102625
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792475
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105102608
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chloro-2-methylphenyl)ethanone
CID 115796449

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone (CID 114973852) is 1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone is Cc1ccc(Cl)cc1C(=O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone?
The InChIKey is BGDCYHPFVDUKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O/c1-9-2-3-12(17)8-13(9)15(19)7-10-6-11(16)4-5-14(10)18/h2-6,8H,7H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone?
1-(5-chloro-2-methylphenyl)-2-(2,5-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-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 114973852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).