2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone

C16H14Br2O2 — CID 114973586

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2cc(C)ccc2Br)c1
InChIInChI=1S/C16H14Br2O2/c1-10-3-5-15(18)13(7-10)16(19)9-11-8-12(20-2)4-6-14(11)17/h3-8H,9H2,1-2H3
InChIKeyQZHILDZRDJBVNX-UHFFFAOYSA-N
MW398.09 g/mol
LogP4.95
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone

2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone (PubChem CID 114973586) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
PubChem CID114973586
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
SMILESCOc1ccc(Br)c(CC(=O)c2cc(C)ccc2Br)c1
InChIInChI=1S/C16H14Br2O2/c1-10-3-5-15(18)13(7-10)16(19)9-11-8-12(20-2)4-6-14(11)17/h3-8H,9H2,1-2H3
InChIKeyQZHILDZRDJBVNX-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.09
LogP ≤ 54.95
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-(2-bromo-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81110990
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101623
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 114329747
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448107
1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123568
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
2-bromo-1-(2-bromo-4-methoxyphenyl)ethanone;2-bromo-1-(2-bromo-4-methylphenyl)ethanone
CID 22121484
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407677

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone (CID 114973586) is 2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone is COc1ccc(Br)c(CC(=O)c2cc(C)ccc2Br)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone?
The InChIKey is QZHILDZRDJBVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2/c1-10-3-5-15(18)13(7-10)16(19)9-11-8-12(20-2)4-6-14(11)17/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone?
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone has a molecular weight of 398.09 g/mol, XLogP of 4.95, 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-(2-bromo-5-methylphenyl)ethanone is sourced from PubChem (CID 114973586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).