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

C15H13Br2ClO2 — CID 63445141

IUPAC1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Br)c2ccccc2Br)cc1OC
InChIInChI=1S/C15H13Br2ClO2/c1-19-13-7-10(12(18)8-14(13)20-2)15(17)9-5-3-4-6-11(9)16/h3-8,15H,1-2H3
InChIKeyUSNPMIHYCCJFIE-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.60
Rot. Bonds4

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

1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene (PubChem CID 63445141) has the molecular formula C15H13Br2ClO2 and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
PubChem CID63445141
Molecular FormulaC15H13Br2ClO2
Molecular Weight420.53 g/mol
Exact Mass417.90
IUPAC Name1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Br)c2ccccc2Br)cc1OC
InChIInChI=1S/C15H13Br2ClO2/c1-19-13-7-10(12(18)8-14(13)20-2)15(17)9-5-3-4-6-11(9)16/h3-8,15H,1-2H3
InChIKeyUSNPMIHYCCJFIE-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.60
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-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958777
1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 63444828
1-bromo-4-[bromo-(2-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057367
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738
1-[bromo-(4-bromo-3-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 81294064
1-bromo-5-[bromo-(2-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433576
1-bromo-4-[bromo-(3-bromo-2-chlorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057418
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958779
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
CID 114374763
1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
CID 61084783
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443430
1-bromo-4-[bromo-(2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057401

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
The IUPAC name of 1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene (CID 63445141) is 1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene.
What is the SMILES notation for 1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
The canonical SMILES for 1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene is COc1cc(Cl)c(C(Br)c2ccccc2Br)cc1OC.
What is the InChIKey of 1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
The InChIKey is USNPMIHYCCJFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO2/c1-19-13-7-10(12(18)8-14(13)20-2)15(17)9-5-3-4-6-11(9)16/h3-8,15H,1-2H3.
What are the key properties of 1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene has a molecular weight of 420.53 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene is sourced from PubChem (CID 63445141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).