1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene

C15H13Br2ClO2 — CID 63435485

IUPAC1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1C(Br)c1cc(Br)ccc1OC
InChIInChI=1S/C15H13Br2ClO2/c1-19-13-6-3-9(16)7-12(13)15(17)11-5-4-10(18)8-14(11)20-2/h3-8,15H,1-2H3
InChIKeyQLYPRPHUCBFYIK-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.60
Rot. Bonds4

About 1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene

1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene (PubChem CID 63435485) has the molecular formula C15H13Br2ClO2 and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
PubChem CID63435485
Molecular FormulaC15H13Br2ClO2
Molecular Weight420.53 g/mol
Exact Mass417.90
IUPAC Name1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1C(Br)c1cc(Br)ccc1OC
InChIInChI=1S/C15H13Br2ClO2/c1-19-13-6-3-9(16)7-12(13)15(17)11-5-4-10(18)8-14(11)20-2/h3-8,15H,1-2H3
InChIKeyQLYPRPHUCBFYIK-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-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
CID 63445203
2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 115369851
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene
CID 113296148
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63427314
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461531
1-[bromo-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 104546466
1-[bromo-(4-chloro-2-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438278
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloro-2-methoxybenzene
CID 55197809
2-bromo-1-[bromo-(5-chloro-2-methoxyphenyl)methyl]-3-fluorobenzene
CID 113425588
1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 107992301
[(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
CID 105323198
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methoxybenzene
CID 115369844

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene?
The IUPAC name of 1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene (CID 63435485) is 1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene.
What is the SMILES notation for 1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene?
The canonical SMILES for 1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene is COc1cc(Cl)ccc1C(Br)c1cc(Br)ccc1OC.
What is the InChIKey of 1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene?
The InChIKey is QLYPRPHUCBFYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO2/c1-19-13-6-3-9(16)7-12(13)15(17)11-5-4-10(18)8-14(11)20-2/h3-8,15H,1-2H3.
What are the key properties of 1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene?
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene 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-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene is sourced from PubChem (CID 63435485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).