1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone

C16H14BrClO3 — CID 107956974

IUPAC1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)cc(Br)c2)cc1OC
InChIInChI=1S/C16H14BrClO3/c1-20-15-4-3-10(6-16(15)21-2)5-14(19)11-7-12(17)9-13(18)8-11/h3-4,6-9H,5H2,1-2H3
InChIKeyARTRHURJGMJEHE-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.55
Rot. Bonds5

About 1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone

1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone (PubChem CID 107956974) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
PubChem CID107956974
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Cl)cc(Br)c2)cc1OC
InChIInChI=1S/C16H14BrClO3/c1-20-15-4-3-10(6-16(15)21-2)5-14(19)11-7-12(17)9-13(18)8-11/h3-4,6-9H,5H2,1-2H3
InChIKeyARTRHURJGMJEHE-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-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
1-(3-bromo-5-chlorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 107944369
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43161702
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 102826940
1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 43344752
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
(2-bromo-4-chlorophenyl) 2-(3,4-dimethoxyphenyl)acetate
CID 26213000
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
1-(3-chlorophenyl)-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanone
CID 122457160
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone (CID 107956974) is 1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(Cl)cc(Br)c2)cc1OC.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is ARTRHURJGMJEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c1-20-15-4-3-10(6-16(15)21-2)5-14(19)11-7-12(17)9-13(18)8-11/h3-4,6-9H,5H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone?
1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)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 1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 107956974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).