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

C16H14BrClO2 — CID 107101623

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2cccc(Cl)c2C)c1
InChIInChI=1S/C16H14BrClO2/c1-10-13(4-3-5-15(10)18)16(19)9-11-8-12(20-2)6-7-14(11)17/h3-8H,9H2,1-2H3
InChIKeyAPLJCKSGPJHVIA-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.84
Rot. Bonds4

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

2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone (PubChem CID 107101623) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
PubChem CID107101623
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2cccc(Cl)c2C)c1
InChIInChI=1S/C16H14BrClO2/c1-10-13(4-3-5-15(10)18)16(19)9-11-8-12(20-2)6-7-14(11)17/h3-8H,9H2,1-2H3
InChIKeyAPLJCKSGPJHVIA-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 65328007
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
CID 114973586
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
2-(2-bromo-5-methoxyphenyl)-1-(3-chlorothiophen-2-yl)ethanone
CID 114973583
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407677
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 106267406
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 114329747
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123568
(3-chloro-2-methylphenyl)-(3-methoxyphenyl)methanone
CID 103693734
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone (CID 107101623) is 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone is COc1ccc(Br)c(CC(=O)c2cccc(Cl)c2C)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone?
The InChIKey is APLJCKSGPJHVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-10-13(4-3-5-15(10)18)16(19)9-11-8-12(20-2)6-7-14(11)17/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone?
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone has a molecular weight of 353.64 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone is sourced from PubChem (CID 107101623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).