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

C18H19BrO — CID 114329542

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C18H19BrO/c1-4-14-5-7-15(8-6-14)11-17(20)16-9-12(2)18(19)13(3)10-16/h5-10H,4,11H2,1-3H3
InChIKeyMEYWDKZXNCZRCF-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.05
Rot. Bonds4

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

1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone (PubChem CID 114329542) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone
PubChem CID114329542
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C18H19BrO/c1-4-14-5-7-15(8-6-14)11-17(20)16-9-12(2)18(19)13(3)10-16/h5-10H,4,11H2,1-3H3
InChIKeyMEYWDKZXNCZRCF-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
1-(4-bromo-3,5-dimethylphenyl)propan-1-one
CID 114329578
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738
2-(4-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanone
CID 65299177
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-(4-bromo-3,5-dimethylphenyl)-3-chloropropan-1-one
CID 14682895
1-(4-bromo-3,5-dimethylphenyl)decan-1-one
CID 114329661
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone
CID 114329742

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone (CID 114329542) is 1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone is CCc1ccc(CC(=O)c2cc(C)c(Br)c(C)c2)cc1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone?
The InChIKey is MEYWDKZXNCZRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO/c1-4-14-5-7-15(8-6-14)11-17(20)16-9-12(2)18(19)13(3)10-16/h5-10H,4,11H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone?
1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone has a molecular weight of 331.25 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone is sourced from PubChem (CID 114329542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).