1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone

C15H11BrCl2O — CID 106865270

IUPAC1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Br)ccc2Cl)c(Cl)c1
InChIInChI=1S/C15H11BrCl2O/c1-9-2-3-10(14(18)6-9)7-15(19)12-8-11(16)4-5-13(12)17/h2-6,8H,7H2,1H3
InChIKeyNEFQRGYMTVIRTN-UHFFFAOYSA-N
MW358.06 g/mol
LogP5.49
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone

1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone (PubChem CID 106865270) has the molecular formula C15H11BrCl2O and a molecular weight of 358.06 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
PubChem CID106865270
Molecular FormulaC15H11BrCl2O
Molecular Weight358.06 g/mol
Exact Mass355.94
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Br)ccc2Cl)c(Cl)c1
InChIInChI=1S/C15H11BrCl2O/c1-9-2-3-10(14(18)6-9)7-15(19)12-8-11(16)4-5-13(12)17/h2-6,8H,7H2,1H3
InChIKeyNEFQRGYMTVIRTN-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-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965715
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115801958
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 106865501
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277
1-(5-bromo-2-chlorophenyl)-2-chloroethanone
CID 79018243
2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 106867165
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone (CID 106865270) is 1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2cc(Br)ccc2Cl)c(Cl)c1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
The InChIKey is NEFQRGYMTVIRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2O/c1-9-2-3-10(14(18)6-9)7-15(19)12-8-11(16)4-5-13(12)17/h2-6,8H,7H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone?
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)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-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone is sourced from PubChem (CID 106865270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).