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

C15H13BrCl2O2 — CID 107991463

IUPAC1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(Cl)cc2Br)c(OC)c1
InChIInChI=1S/C15H13BrCl2O2/c1-19-10-4-6-12(14(8-10)20-2)15(18)11-5-3-9(17)7-13(11)16/h3-8,15H,1-2H3
InChIKeyWVZSTROWSUYEGP-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.45
Rot. Bonds4

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

1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene (PubChem CID 107991463) has the molecular formula C15H13BrCl2O2 and a molecular weight of 376.08 g/mol. Its IUPAC name is 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
PubChem CID107991463
Molecular FormulaC15H13BrCl2O2
Molecular Weight376.08 g/mol
Exact Mass373.95
IUPAC Name1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(Cl)cc2Br)c(OC)c1
InChIInChI=1S/C15H13BrCl2O2/c1-19-10-4-6-12(14(8-10)20-2)15(18)11-5-3-9(17)7-13(11)16/h3-8,15H,1-2H3
InChIKeyWVZSTROWSUYEGP-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.45
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-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991493
[(2-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methyl]hydrazine
CID 107997013
1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene
CID 63429476
1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 63433665
1,4-dibromo-2-[chloro-(4-chloro-2-methoxyphenyl)methyl]-5-methylbenzene
CID 81473241
2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene
CID 63434919
1-[chloro-(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304043
2-bromo-1-[chloro-(2-fluoro-5-methylphenyl)methyl]-4-methoxybenzene
CID 55198729
1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
CID 62511020
2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene
CID 55197776
2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan
CID 61086394
2,5-dibromo-3-[chloro-(4-chloro-2-methoxyphenyl)methyl]thiophene
CID 55197955

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene (CID 107991463) is 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene is COc1ccc(C(Cl)c2ccc(Cl)cc2Br)c(OC)c1.
What is the InChIKey of 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene?
The InChIKey is WVZSTROWSUYEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O2/c1-19-10-4-6-12(14(8-10)20-2)15(18)11-5-3-9(17)7-13(11)16/h3-8,15H,1-2H3.
What are the key properties of 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene?
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene has a molecular weight of 376.08 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 107991463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).