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

C15H12Br2Cl2O2 — CID 107991491

IUPAC1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Cl)c2ccc(Cl)c(Br)c2)cc1OC
InChIInChI=1S/C15H12Br2Cl2O2/c1-20-13-6-9(10(16)7-14(13)21-2)15(19)8-3-4-12(18)11(17)5-8/h3-7,15H,1-2H3
InChIKeyCGRNVNZODWHDDA-UHFFFAOYSA-N
MW454.97 g/mol
LogP6.21
Rot. Bonds4

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

1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene (PubChem CID 107991491) has the molecular formula C15H12Br2Cl2O2 and a molecular weight of 454.97 g/mol. Its IUPAC name is 1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
PubChem CID107991491
Molecular FormulaC15H12Br2Cl2O2
Molecular Weight454.97 g/mol
Exact Mass451.86
IUPAC Name1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Cl)c2ccc(Cl)c(Br)c2)cc1OC
InChIInChI=1S/C15H12Br2Cl2O2/c1-20-13-6-9(10(16)7-14(13)21-2)15(19)8-3-4-12(18)11(17)5-8/h3-7,15H,1-2H3
InChIKeyCGRNVNZODWHDDA-UHFFFAOYSA-N
XLogP6.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.97
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene 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-bromo-2-[chloro-(3-chloro-4-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 82876669
1-bromo-2-[(4-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432397
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
1-bromo-2-[(3-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432172
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738
1-bromo-4-[bromo-(3-bromo-4-chlorophenyl)methyl]-2,5-dimethoxybenzene
CID 107992248
1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63432950
1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991493
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 61087950
4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
CID 63429005
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-fluoro-4,5-dimethoxybenzene
CID 107958879

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene (CID 107991491) is 1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene is COc1cc(Br)c(C(Cl)c2ccc(Cl)c(Br)c2)cc1OC.
What is the InChIKey of 1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene?
The InChIKey is CGRNVNZODWHDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2Cl2O2/c1-20-13-6-9(10(16)7-14(13)21-2)15(19)8-3-4-12(18)11(17)5-8/h3-7,15H,1-2H3.
What are the key properties of 1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene?
1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene has a molecular weight of 454.97 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 107991491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).