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

C15H13Br2ClO — CID 63435432

IUPAC2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(C(Br)Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C15H13Br2ClO/c1-19-15-7-6-10(8-13(15)17)12(16)9-11-4-2-3-5-14(11)18/h2-8,12H,9H2,1H3
InChIKeyVQLNGCHDUKIEJY-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.79
Rot. Bonds4

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

2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene (PubChem CID 63435432) has the molecular formula C15H13Br2ClO and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
PubChem CID63435432
Molecular FormulaC15H13Br2ClO
Molecular Weight404.53 g/mol
Exact Mass401.90
IUPAC Name2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(C(Br)Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C15H13Br2ClO/c1-19-15-7-6-10(8-13(15)17)12(16)9-11-4-2-3-5-14(11)18/h2-8,12H,9H2,1H3
InChIKeyVQLNGCHDUKIEJY-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-(2-chlorophenyl)ethyl]-2-chlorobenzene
CID 81307609
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63445154
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene
CID 113397323
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene
CID 63437142
1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
CID 63437373
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105293177
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
CID 63435707
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43479915
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene (CID 63435432) is 2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene is COc1ccc(C(Br)Cc2ccccc2Cl)cc1Br.
What is the InChIKey of 2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene?
The InChIKey is VQLNGCHDUKIEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO/c1-19-15-7-6-10(8-13(15)17)12(16)9-11-4-2-3-5-14(11)18/h2-8,12H,9H2,1H3.
What are the key properties of 2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene?
2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene 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-(2-chlorophenyl)ethyl]-1-methoxybenzene is sourced from PubChem (CID 63435432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).