1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene

C15H13BrCl2O2 — CID 63432950

IUPAC1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Cl)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C15H13BrCl2O2/c1-19-13-7-11(12(17)8-14(13)20-2)15(18)9-3-5-10(16)6-4-9/h3-8,15H,1-2H3
InChIKeyWEBJVGWQBHADFI-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.45
Rot. Bonds4

About 1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene

1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene (PubChem CID 63432950) has the molecular formula C15H13BrCl2O2 and a molecular weight of 376.08 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
PubChem CID63432950
Molecular FormulaC15H13BrCl2O2
Molecular Weight376.08 g/mol
Exact Mass373.95
IUPAC Name1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Cl)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C15H13BrCl2O2/c1-19-13-7-11(12(17)8-14(13)20-2)15(18)9-3-5-10(16)6-4-9/h3-8,15H,1-2H3
InChIKeyWEBJVGWQBHADFI-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-[(4-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432397
4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
CID 63429005
1-bromo-4-[(4-bromophenyl)-chloromethyl]-2,5-dimethoxybenzene
CID 105057222
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene
CID 63428712
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991491
1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 63432995
1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65433369
1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958777
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63433300
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene?
The IUPAC name of 1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene (CID 63432950) is 1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene.
What is the SMILES notation for 1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene?
The canonical SMILES for 1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene is COc1cc(Cl)c(C(Cl)c2ccc(Br)cc2)cc1OC.
What is the InChIKey of 1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene?
The InChIKey is WEBJVGWQBHADFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O2/c1-19-13-7-11(12(17)8-14(13)20-2)15(18)9-3-5-10(16)6-4-9/h3-8,15H,1-2H3.
What are the key properties of 1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene?
1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-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-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene is sourced from PubChem (CID 63432950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).