2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone

C15H12Br2O2 — CID 65327862

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H12Br2O2/c1-19-13-6-7-14(17)11(8-13)9-15(18)10-2-4-12(16)5-3-10/h2-8H,9H2,1H3
InChIKeyHCRMLSYHTVWDSD-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.65
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone

2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone (PubChem CID 65327862) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
PubChem CID65327862
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H12Br2O2/c1-19-13-6-7-14(17)11(8-13)9-15(18)10-2-4-12(16)5-3-10/h2-8H,9H2,1H3
InChIKeyHCRMLSYHTVWDSD-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone
CID 159564102
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 114329747
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
CID 114973586
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 116554254
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448107
2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 142728271
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
3-(2-bromo-5-methoxyphenyl)-1-phenylpropane-1,2-dione
CID 141009493
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid
CID 79430808

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone (CID 65327862) is 2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone is COc1ccc(Br)c(CC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone?
The InChIKey is HCRMLSYHTVWDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O2/c1-19-13-6-7-14(17)11(8-13)9-15(18)10-2-4-12(16)5-3-10/h2-8H,9H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone?
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone has a molecular weight of 384.07 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone is sourced from PubChem (CID 65327862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).