2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone

C16H14BrClO3 — CID 114964675

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)ccc2OC)cc1Br
InChIInChI=1S/C16H14BrClO3/c1-20-15-6-4-11(18)9-12(15)14(19)8-10-3-5-16(21-2)13(17)7-10/h3-7,9H,8H2,1-2H3
InChIKeyXRHMCHTUSWNWNV-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.55
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone

2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone (PubChem CID 114964675) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
PubChem CID114964675
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)ccc2OC)cc1Br
InChIInChI=1S/C16H14BrClO3/c1-20-15-6-4-11(18)9-12(15)14(19)8-10-3-5-16(21-2)13(17)7-10/h3-7,9H,8H2,1-2H3
InChIKeyXRHMCHTUSWNWNV-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
1-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974430
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107538191
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 64713786
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
1-(2-amino-3-methoxyphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107469003
1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
CID 105056472
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273091
2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790005
(2-bromo-4-chlorophenyl) 2-(3,4-dimethoxyphenyl)acetate
CID 26213000

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone (CID 114964675) is 2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(Cl)ccc2OC)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone?
The InChIKey is XRHMCHTUSWNWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c1-20-15-6-4-11(18)9-12(15)14(19)8-10-3-5-16(21-2)13(17)7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone?
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone has a molecular weight of 369.64 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 114964675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).