2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone

C17H17BrO2 — CID 114964594

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H17BrO2/c1-11-4-6-15(12(2)8-11)16(19)10-13-9-14(18)5-7-17(13)20-3/h4-9H,10H2,1-3H3
InChIKeyDGAYUKFRCNHGRQ-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.50
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone

2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 114964594) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
PubChem CID114964594
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H17BrO2/c1-11-4-6-15(12(2)8-11)16(19)10-13-9-14(18)5-7-17(13)20-3/h4-9H,10H2,1-3H3
InChIKeyDGAYUKFRCNHGRQ-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965715
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone
CID 114964515
2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
CID 63084863
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)ethanone
CID 114964598
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
1-(2-bromo-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 107996257
2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 60711640
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline
CID 63458833
1-(4-bromo-2-methoxyphenyl)-2-(2-methylphenyl)ethanone
CID 113296084
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274265

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone (CID 114964594) is 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone is COc1ccc(Br)cc1CC(=O)c1ccc(C)cc1C.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is DGAYUKFRCNHGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-11-4-6-15(12(2)8-11)16(19)10-13-9-14(18)5-7-17(13)20-3/h4-9H,10H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone?
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 333.23 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 114964594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).