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

C17H17BrO — CID 104853112

IUPAC1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1cc(Br)cc(C(=O)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H17BrO/c1-11-6-15(10-16(18)7-11)17(19)9-14-5-4-12(2)13(3)8-14/h4-8,10H,9H2,1-3H3
InChIKeyGCCDLDHMLCCHDL-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.80
Rot. Bonds3

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

1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 104853112) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID104853112
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1cc(Br)cc(C(=O)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H17BrO/c1-11-6-15(10-16(18)7-11)17(19)9-14-5-4-12(2)13(3)8-14/h4-8,10H,9H2,1-3H3
InChIKeyGCCDLDHMLCCHDL-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
2-(3,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299275
3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726455
1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 114019091
1-(3-bromo-5-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 113460846
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
2-(3,4-dimethylphenyl)-1-[4-(2-methylpropyl)phenyl]ethanone
CID 63491622
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone
CID 114329542
2-(3,4-dimethylphenyl)-1-(4-propoxyphenyl)ethanone
CID 63410446

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone (CID 104853112) is 1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone is Cc1cc(Br)cc(C(=O)Cc2ccc(C)c(C)c2)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is GCCDLDHMLCCHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-11-6-15(10-16(18)7-11)17(19)9-14-5-4-12(2)13(3)8-14/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone?
1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 317.23 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 104853112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).