2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene

C15H13Br2ClO — CID 107993414

IUPAC2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene
SMILESCOc1cccc(CC(Br)c2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C15H13Br2ClO/c1-19-12-4-2-3-10(7-12)8-13(16)11-5-6-15(18)14(17)9-11/h2-7,9,13H,8H2,1H3
InChIKeyGIPDHLPVBZEODP-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.79
Rot. Bonds4

About 2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene

2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene (PubChem CID 107993414) has the molecular formula C15H13Br2ClO and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene.

Molecular Properties

Compound Name2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene
PubChem CID107993414
Molecular FormulaC15H13Br2ClO
Molecular Weight404.53 g/mol
Exact Mass401.90
IUPAC Name2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene
SMILESCOc1cccc(CC(Br)c2ccc(Cl)c(Br)c2)c1
InChIInChI=1S/C15H13Br2ClO/c1-19-12-4-2-3-10(7-12)8-13(16)11-5-6-15(18)14(17)9-11/h2-7,9,13H,8H2,1H3
InChIKeyGIPDHLPVBZEODP-UHFFFAOYSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene
CID 55224466
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437571
1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
CID 61086300
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456
1-[2-bromo-2-(3-iodophenyl)ethyl]-3-methoxybenzene
CID 55224846
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
CID 55224657
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443659
1-bromo-2-chloro-4-[1-chloro-2-(3-methoxyphenyl)ethyl]benzene
CID 81307279
1-[2-bromo-2-(4-butan-2-ylphenyl)ethyl]-3-methoxybenzene
CID 63438806
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
CID 63444300
1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 79697442

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene?
The IUPAC name of 2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene (CID 107993414) is 2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene.
What is the SMILES notation for 2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene?
The canonical SMILES for 2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene is COc1cccc(CC(Br)c2ccc(Cl)c(Br)c2)c1.
What is the InChIKey of 2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene?
The InChIKey is GIPDHLPVBZEODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO/c1-19-12-4-2-3-10(7-12)8-13(16)11-5-6-15(18)14(17)9-11/h2-7,9,13H,8H2,1H3.
What are the key properties of 2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene?
2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene has a molecular weight of 404.53 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene is sourced from PubChem (CID 107993414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).