2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene

C15H13BrCl2O — CID 104546555

IUPAC2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Br)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H13BrCl2O/c1-9-3-4-10(7-13(9)18)15(16)12-8-11(17)5-6-14(12)19-2/h3-8,15H,1-2H3
InChIKeyPOSLHCBOHYTYNT-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.79
Rot. Bonds3

About 2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene

2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene (PubChem CID 104546555) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
PubChem CID104546555
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Br)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H13BrCl2O/c1-9-3-4-10(7-13(9)18)15(16)12-8-11(17)5-6-14(12)19-2/h3-8,15H,1-2H3
InChIKeyPOSLHCBOHYTYNT-UHFFFAOYSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018
1-bromo-4-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2-chlorobenzene
CID 104546441
2-[bromo-(3,4-dimethoxyphenyl)methyl]-4-chloro-1-methylbenzene
CID 82890864
2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene
CID 63439339
1-[bromo-(3-chloro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447907
1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene
CID 63444213
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427370
4-[bromo-(3-chloro-4-fluorophenyl)methyl]-1-methoxy-2-methylbenzene
CID 82878606
2-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441261
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477672

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene?
The IUPAC name of 2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene (CID 104546555) is 2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1C(Br)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene?
The InChIKey is POSLHCBOHYTYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-9-3-4-10(7-13(9)18)15(16)12-8-11(17)5-6-14(12)19-2/h3-8,15H,1-2H3.
What are the key properties of 2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene?
2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene has a molecular weight of 360.08 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene is sourced from PubChem (CID 104546555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).