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

C17H16Br2O2 — CID 114329747

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C17H16Br2O2/c1-10-6-13(7-11(2)17(10)19)16(20)9-12-8-14(21-3)4-5-15(12)18/h4-8H,9H2,1-3H3
InChIKeySLEASCHECSVABN-UHFFFAOYSA-N
MW412.12 g/mol
LogP5.26
Rot. Bonds4

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

1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone (PubChem CID 114329747) has the molecular formula C17H16Br2O2 and a molecular weight of 412.12 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
PubChem CID114329747
Molecular FormulaC17H16Br2O2
Molecular Weight412.12 g/mol
Exact Mass409.95
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C17H16Br2O2/c1-10-6-13(7-11(2)17(10)19)16(20)9-12-8-14(21-3)4-5-15(12)18/h4-8H,9H2,1-3H3
InChIKeySLEASCHECSVABN-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.12
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
CID 114973586
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407677
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448107
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101623
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
3-(2-bromo-5-methoxyphenyl)-1-phenylpropane-1,2-dione
CID 141009493

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone (CID 114329747) is 1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone is COc1ccc(Br)c(CC(=O)c2cc(C)c(Br)c(C)c2)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone?
The InChIKey is SLEASCHECSVABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2O2/c1-10-6-13(7-11(2)17(10)19)16(20)9-12-8-14(21-3)4-5-15(12)18/h4-8H,9H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone?
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone has a molecular weight of 412.12 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone is sourced from PubChem (CID 114329747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).