2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone

C15H12BrClO2 — CID 43161702

IUPAC2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H12BrClO2/c1-19-15-7-4-11(9-13(15)17)14(18)8-10-2-5-12(16)6-3-10/h2-7,9H,8H2,1H3
InChIKeyWKZXBYOZQPITPK-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.54
Rot. Bonds4

About 2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone

2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone (PubChem CID 43161702) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
PubChem CID43161702
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H12BrClO2/c1-19-15-7-4-11(9-13(15)17)14(18)8-10-2-5-12(16)6-3-10/h2-7,9H,8H2,1H3
InChIKeyWKZXBYOZQPITPK-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
2-(4-bromophenoxy)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 60659477
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43222143
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
1-(3-chloro-4-methoxyphenyl)-3-methylsulfanylpropan-1-one
CID 116830849
2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone
CID 79700353
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
1-(3-chloro-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161730

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone (CID 43161702) is 2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone?
The InChIKey is WKZXBYOZQPITPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-19-15-7-4-11(9-13(15)17)14(18)8-10-2-5-12(16)6-3-10/h2-7,9H,8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone?
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone has a molecular weight of 339.62 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 43161702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).