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

C16H16BrClO2 — CID 63441796

IUPAC1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Br)Cc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C16H16BrClO2/c1-19-13-6-7-14(16(10-13)20-2)15(17)9-11-4-3-5-12(18)8-11/h3-8,10,15H,9H2,1-2H3
InChIKeyULFXBUVJTINRLR-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.04
Rot. Bonds5

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

1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene (PubChem CID 63441796) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene
PubChem CID63441796
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Br)Cc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C16H16BrClO2/c1-19-13-6-7-14(16(10-13)20-2)15(17)9-11-4-3-5-12(18)8-11/h3-8,10,15H,9H2,1-2H3
InChIKeyULFXBUVJTINRLR-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.04
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-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443710
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
CID 63444300
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443659
1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2,4-dimethoxybenzene
CID 63441842
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-chloro-1-methylbenzene
CID 82890425
2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
CID 63434211
1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-chloro-2-methoxybenzene
CID 63542728
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
CID 55224657
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 115370103
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
CID 107991463
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432399

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene (CID 63441796) is 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene is COc1ccc(C(Br)Cc2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene?
The InChIKey is ULFXBUVJTINRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-19-13-6-7-14(16(10-13)20-2)15(17)9-11-4-3-5-12(18)8-11/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene?
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene has a molecular weight of 355.66 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 63441796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).