4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene

C15H13BrCl2O2 — CID 63429005

IUPAC4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2cc(Br)ccc2Cl)cc1OC
InChIInChI=1S/C15H13BrCl2O2/c1-19-13-6-3-9(7-14(13)20-2)15(18)11-8-10(16)4-5-12(11)17/h3-8,15H,1-2H3
InChIKeyPAEHYADQOLLPTQ-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.45
Rot. Bonds4

About 4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene

4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene (PubChem CID 63429005) has the molecular formula C15H13BrCl2O2 and a molecular weight of 376.08 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
PubChem CID63429005
Molecular FormulaC15H13BrCl2O2
Molecular Weight376.08 g/mol
Exact Mass373.95
IUPAC Name4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2cc(Br)ccc2Cl)cc1OC
InChIInChI=1S/C15H13BrCl2O2/c1-19-13-6-3-9(7-14(13)20-2)15(18)11-8-10(16)4-5-12(11)17/h3-8,15H,1-2H3
InChIKeyPAEHYADQOLLPTQ-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'}

Analyze 4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63432950
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
CID 63436360
4-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427655
4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55198727
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533
4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene
CID 63442964
2-bromo-1-[chloro-(3,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 61082924
1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991491
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
4-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434154

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene (CID 63429005) is 4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene is COc1ccc(C(Cl)c2cc(Br)ccc2Cl)cc1OC.
What is the InChIKey of 4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene?
The InChIKey is PAEHYADQOLLPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O2/c1-19-13-6-3-9(7-14(13)20-2)15(18)11-8-10(16)4-5-12(11)17/h3-8,15H,1-2H3.
What are the key properties of 4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene?
4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene 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 4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene is sourced from PubChem (CID 63429005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).