1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene

C16H15BrCl2O2 — CID 63432399

IUPAC1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Cl)Cc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C16H15BrCl2O2/c1-20-15-8-12(13(17)9-16(15)21-2)14(19)7-10-4-3-5-11(18)6-10/h3-6,8-9,14H,7H2,1-2H3
InChIKeyWFLHYSFAURBDKE-UHFFFAOYSA-N
MW390.10 g/mol
LogP5.64
Rot. Bonds5

About 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene

1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene (PubChem CID 63432399) has the molecular formula C16H15BrCl2O2 and a molecular weight of 390.10 g/mol. Its IUPAC name is 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
PubChem CID63432399
Molecular FormulaC16H15BrCl2O2
Molecular Weight390.10 g/mol
Exact Mass387.96
IUPAC Name1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Cl)Cc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C16H15BrCl2O2/c1-20-15-8-12(13(17)9-16(15)21-2)14(19)7-10-4-3-5-11(18)6-10/h3-6,8-9,14H,7H2,1-2H3
InChIKeyWFLHYSFAURBDKE-UHFFFAOYSA-N
XLogP5.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.10
LogP ≤ 55.64
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

1-chloro-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432908
4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
CID 63428713
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4-iodobenzene
CID 114026446
2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
CID 63434211
1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991493
2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
CID 114025132
1,4-dibromo-2-[1-chloro-2-(3-methoxyphenyl)ethyl]-5-methylbenzene
CID 81474199
4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
CID 63542483
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
CID 62389072
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene
CID 63441796
1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
CID 61084783
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432776

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene (CID 63432399) is 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene is COc1cc(Br)c(C(Cl)Cc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene?
The InChIKey is WFLHYSFAURBDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2O2/c1-20-15-8-12(13(17)9-16(15)21-2)14(19)7-10-4-3-5-11(18)6-10/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene?
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene has a molecular weight of 390.10 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 63432399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).