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

C15H12BrClO2 — CID 79700353

IUPAC2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C15H12BrClO2/c1-19-15-9-11(5-6-13(15)17)14(18)8-10-3-2-4-12(16)7-10/h2-7,9H,8H2,1H3
InChIKeyKCLIFDNMVNRSCV-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.54
Rot. Bonds4

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

2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone (PubChem CID 79700353) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone
PubChem CID79700353
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C15H12BrClO2/c1-19-15-9-11(5-6-13(15)17)14(18)8-10-3-2-4-12(16)7-10/h2-7,9H,8H2,1H3
InChIKeyKCLIFDNMVNRSCV-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-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
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2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
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3-(3-aminophenyl)-1-(4-chloro-3-methoxyphenyl)propan-1-one
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2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
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1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
1-(4-chloro-3-methoxyphenyl)pentan-1-one
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N-[2-[[2-(3-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone (CID 79700353) is 2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone is COc1cc(C(=O)Cc2cccc(Br)c2)ccc1Cl.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone?
The InChIKey is KCLIFDNMVNRSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-19-15-9-11(5-6-13(15)17)14(18)8-10-3-2-4-12(16)7-10/h2-7,9H,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone?
2-(3-bromophenyl)-1-(4-chloro-3-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-(3-bromophenyl)-1-(4-chloro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 79700353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).