1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone

C15H11BrCl2O — CID 114973882

IUPAC1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(Cl)ccc2Cl)c(Br)c1
InChIInChI=1S/C15H11BrCl2O/c1-9-2-4-12(13(16)6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7H,8H2,1H3
InChIKeyCLODSCGPWHCVDO-UHFFFAOYSA-N
MW358.06 g/mol
LogP5.49
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone

1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone (PubChem CID 114973882) has the molecular formula C15H11BrCl2O and a molecular weight of 358.06 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
PubChem CID114973882
Molecular FormulaC15H11BrCl2O
Molecular Weight358.06 g/mol
Exact Mass355.94
IUPAC Name1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cc(Cl)ccc2Cl)c(Br)c1
InChIInChI=1S/C15H11BrCl2O/c1-9-2-4-12(13(16)6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7H,8H2,1H3
InChIKeyCLODSCGPWHCVDO-UHFFFAOYSA-N
XLogP5.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.06
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890805
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
1-(2-bromo-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 107996257
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105102625
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone (CID 114973882) is 1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone is Cc1ccc(C(=O)Cc2cc(Cl)ccc2Cl)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone?
The InChIKey is CLODSCGPWHCVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2O/c1-9-2-4-12(13(16)6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7H,8H2,1H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone?
1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone has a molecular weight of 358.06 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 114973882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).