1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone

C16H14BrClO2 — CID 114965715

IUPAC1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H14BrClO2/c1-10-3-6-16(20-2)11(7-10)8-15(19)13-9-12(17)4-5-14(13)18/h3-7,9H,8H2,1-2H3
InChIKeyURFZLGRUYWTFOY-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.84
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone

1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 114965715) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID114965715
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H14BrClO2/c1-10-3-6-16(20-2)11(7-10)8-15(19)13-9-12(17)4-5-14(13)18/h3-7,9H,8H2,1-2H3
InChIKeyURFZLGRUYWTFOY-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-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
1-(2-bromo-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 107996257
1-(5-bromo-2-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800078
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 64915978
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)ethanone
CID 114964598
2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
CID 63084863
1-(5-bromo-2-methoxyphenyl)-3-chloropropan-1-one
CID 82050030
2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 82778672

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone (CID 114965715) is 1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone is COc1ccc(C)cc1CC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is URFZLGRUYWTFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-10-3-6-16(20-2)11(7-10)8-15(19)13-9-12(17)4-5-14(13)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-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 1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 114965715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).