2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene

C16H16Br2O3 — CID 115369851

IUPAC2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Br)c2ccc(Br)cc2OC)c1
InChIInChI=1S/C16H16Br2O3/c1-19-11-5-7-14(20-2)13(9-11)16(18)12-6-4-10(17)8-15(12)21-3/h4-9,16H,1-3H3
InChIKeyOLWGYCBFSSFDCF-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.96
Rot. Bonds5

About 2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene

2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene (PubChem CID 115369851) has the molecular formula C16H16Br2O3 and a molecular weight of 416.11 g/mol. Its IUPAC name is 2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
PubChem CID115369851
Molecular FormulaC16H16Br2O3
Molecular Weight416.11 g/mol
Exact Mass413.95
IUPAC Name2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Br)c2ccc(Br)cc2OC)c1
InChIInChI=1S/C16H16Br2O3/c1-19-11-5-7-14(20-2)13(9-11)16(18)12-6-4-10(17)8-15(12)21-3/h4-9,16H,1-3H3
InChIKeyOLWGYCBFSSFDCF-UHFFFAOYSA-N
XLogP4.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene
CID 63437065
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
CID 63435485
1-[bromo-(2,5-dimethoxyphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863008
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 115370103
2,5-dibromo-3-[bromo-(2,4-dimethoxyphenyl)methyl]thiophene
CID 63442769
5-[bromo-(2,5-dimethoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296664
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481987
4-bromo-1-[bromo-(4-propan-2-ylphenyl)methyl]-2-methoxybenzene
CID 115369884
1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene
CID 63442063

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene (CID 115369851) is 2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene is COc1ccc(OC)c(C(Br)c2ccc(Br)cc2OC)c1.
What is the InChIKey of 2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene?
The InChIKey is OLWGYCBFSSFDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O3/c1-19-11-5-7-14(20-2)13(9-11)16(18)12-6-4-10(17)8-15(12)21-3/h4-9,16H,1-3H3.
What are the key properties of 2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene?
2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene has a molecular weight of 416.11 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 115369851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).