4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene

C16H16Br2O2 — CID 115370103

IUPAC4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
SMILESCOc1ccc(CC(Br)c2ccc(Br)cc2OC)cc1
InChIInChI=1S/C16H16Br2O2/c1-19-13-6-3-11(4-7-13)9-15(18)14-8-5-12(17)10-16(14)20-2/h3-8,10,15H,9H2,1-2H3
InChIKeyYXLDBSKFANLAPT-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.14
Rot. Bonds5

About 4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene

4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene (PubChem CID 115370103) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is 4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene.

Molecular Properties

Compound Name4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
PubChem CID115370103
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
SMILESCOc1ccc(CC(Br)c2ccc(Br)cc2OC)cc1
InChIInChI=1S/C16H16Br2O2/c1-19-13-6-3-11(4-7-13)9-15(18)14-8-5-12(17)10-16(14)20-2/h3-8,10,15H,9H2,1-2H3
InChIKeyYXLDBSKFANLAPT-UHFFFAOYSA-N
XLogP5.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-chlorobenzene
CID 63542411
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2,4-dimethoxybenzene
CID 63441842
2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 115369851
4-bromo-1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methylbenzene
CID 63519198
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 115369706
1-(4-bromo-2-methoxyphenyl)-2-(4-iodophenyl)ethanamine
CID 115864418
1-bromo-4-[2-bromo-4-(4-methoxyphenyl)butyl]benzene
CID 63542238
1-[1-bromo-2-(4-fluorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443286
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene
CID 63441796
1-[2-bromo-2-(4-bromo-2-methoxyphenyl)ethyl]-2,4-difluorobenzene
CID 115370122
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene?
The IUPAC name of 4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene (CID 115370103) is 4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene.
What is the SMILES notation for 4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene?
The canonical SMILES for 4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene is COc1ccc(CC(Br)c2ccc(Br)cc2OC)cc1.
What is the InChIKey of 4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene?
The InChIKey is YXLDBSKFANLAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-19-13-6-3-11(4-7-13)9-15(18)14-8-5-12(17)10-16(14)20-2/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene?
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene has a molecular weight of 400.11 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene is sourced from PubChem (CID 115370103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).