1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone

C17H17BrO2 — CID 63490270

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cc(C)ccc2C)cc1Br
InChIInChI=1S/C17H17BrO2/c1-11-4-5-12(2)14(8-11)10-16(19)13-6-7-17(20-3)15(18)9-13/h4-9H,10H2,1-3H3
InChIKeyIJKJIAMDYPXHSV-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.50
Rot. Bonds4

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

1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 63490270) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID63490270
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cc(C)ccc2C)cc1Br
InChIInChI=1S/C17H17BrO2/c1-11-4-5-12(2)14(8-11)10-16(19)13-6-7-17(20-3)15(18)9-13/h4-9H,10H2,1-3H3
InChIKeyIJKJIAMDYPXHSV-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

2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone
CID 114964515
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
3-bromo-4-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 45447581
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 60624093

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone (CID 63490270) is 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone is COc1ccc(C(=O)Cc2cc(C)ccc2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is IJKJIAMDYPXHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-11-4-5-12(2)14(8-11)10-16(19)13-6-7-17(20-3)15(18)9-13/h4-9H,10H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone?
1-(3-bromo-4-methoxyphenyl)-2-(2,5-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 1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 63490270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).