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

C15H12Br2Cl2O2 — CID 107959180

IUPAC1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Br)c2cc(Cl)cc(Br)c2)c(OC)c1Cl
InChIInChI=1S/C15H12Br2Cl2O2/c1-20-12-4-3-11(15(21-2)14(12)19)13(17)8-5-9(16)7-10(18)6-8/h3-7,13H,1-2H3
InChIKeyIWTXXGZPUATRGD-UHFFFAOYSA-N
MW454.97 g/mol
LogP6.26
Rot. Bonds4

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

1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene (PubChem CID 107959180) has the molecular formula C15H12Br2Cl2O2 and a molecular weight of 454.97 g/mol. Its IUPAC name is 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene
PubChem CID107959180
Molecular FormulaC15H12Br2Cl2O2
Molecular Weight454.97 g/mol
Exact Mass451.86
IUPAC Name1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Br)c2cc(Cl)cc(Br)c2)c(OC)c1Cl
InChIInChI=1S/C15H12Br2Cl2O2/c1-20-12-4-3-11(15(21-2)14(12)19)13(17)8-5-9(16)7-10(18)6-8/h3-7,13H,1-2H3
InChIKeyIWTXXGZPUATRGD-UHFFFAOYSA-N
XLogP6.26
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 ≤ 56.26
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-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107957792
1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107958819
(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950937
1-[bromo-(3-bromo-2-fluorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene
CID 107959177
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107959104
1-[bromo-(3-chloro-2-methylphenyl)methyl]-3-chloro-2,4-dimethoxybenzene
CID 107099391
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435996
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-3-chloro-2,4-dimethoxybenzene
CID 107959175
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene
CID 113296148
1-bromo-4-[bromo-(3,5-dichlorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057429
(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107945621
1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 114020376

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene?
The IUPAC name of 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene (CID 107959180) is 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene?
The canonical SMILES for 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene is COc1ccc(C(Br)c2cc(Cl)cc(Br)c2)c(OC)c1Cl.
What is the InChIKey of 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene?
The InChIKey is IWTXXGZPUATRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2Cl2O2/c1-20-12-4-3-11(15(21-2)14(12)19)13(17)8-5-9(16)7-10(18)6-8/h3-7,13H,1-2H3.
What are the key properties of 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene?
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene has a molecular weight of 454.97 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene is sourced from PubChem (CID 107959180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).