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

C15H12Br2Cl2O2 — CID 107991493

IUPAC1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Cl)c2ccc(Cl)cc2Br)cc1OC
InChIInChI=1S/C15H12Br2Cl2O2/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7,15H,1-2H3
InChIKeyACSCBSUEWUCKKR-UHFFFAOYSA-N
MW454.97 g/mol
LogP6.21
Rot. Bonds4

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

1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene (PubChem CID 107991493) has the molecular formula C15H12Br2Cl2O2 and a molecular weight of 454.97 g/mol. Its IUPAC name is 1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
PubChem CID107991493
Molecular FormulaC15H12Br2Cl2O2
Molecular Weight454.97 g/mol
Exact Mass451.86
IUPAC Name1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Cl)c2ccc(Cl)cc2Br)cc1OC
InChIInChI=1S/C15H12Br2Cl2O2/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7,15H,1-2H3
InChIKeyACSCBSUEWUCKKR-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'}

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Related Compounds

1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
CID 107991463
1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
CID 61084783
1,4-dibromo-2-[chloro-(4-chloro-2-methoxyphenyl)methyl]-5-methylbenzene
CID 81473241
1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene
CID 63432395
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
1-bromo-2-[chloro-(3-chloro-4-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 82876669
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 43118241
1-bromo-2-[(4-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432397
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63433300
1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991491
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432399

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene (CID 107991493) is 1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene is COc1cc(Br)c(C(Cl)c2ccc(Cl)cc2Br)cc1OC.
What is the InChIKey of 1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene?
The InChIKey is ACSCBSUEWUCKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2Cl2O2/c1-20-13-6-10(12(17)7-14(13)21-2)15(19)9-4-3-8(18)5-11(9)16/h3-7,15H,1-2H3.
What are the key properties of 1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene?
1-bromo-2-[(2-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-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 107991493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).