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

C15H13BrCl2O2 — CID 63439018

IUPAC2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(C(Br)c2cc(Cl)ccc2OC)cc1Cl
InChIInChI=1S/C15H13BrCl2O2/c1-19-13-6-4-10(17)8-11(13)15(16)9-3-5-14(20-2)12(18)7-9/h3-8,15H,1-2H3
InChIKeyUHEGDCYAKJWGII-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.49
Rot. Bonds4

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

2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene (PubChem CID 63439018) has the molecular formula C15H13BrCl2O2 and a molecular weight of 376.08 g/mol. Its IUPAC name is 2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
PubChem CID63439018
Molecular FormulaC15H13BrCl2O2
Molecular Weight376.08 g/mol
Exact Mass373.95
IUPAC Name2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(C(Br)c2cc(Cl)ccc2OC)cc1Cl
InChIInChI=1S/C15H13BrCl2O2/c1-19-13-6-4-10(17)8-11(13)15(16)9-3-5-14(20-2)12(18)7-9/h3-8,15H,1-2H3
InChIKeyUHEGDCYAKJWGII-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.49
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

2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
CID 104546555
1-bromo-4-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2-chlorobenzene
CID 104546441
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene
CID 63439370
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methoxybenzene
CID 115369844
2-[bromo-(3,4-dimethoxyphenyl)methyl]-4-chloro-1-methylbenzene
CID 82890864
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477672
2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441083
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methylbenzene
CID 63439369
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
1-[bromo-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 104546466

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene?
The IUPAC name of 2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene (CID 63439018) is 2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene is COc1ccc(C(Br)c2cc(Cl)ccc2OC)cc1Cl.
What is the InChIKey of 2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene?
The InChIKey is UHEGDCYAKJWGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O2/c1-19-13-6-4-10(17)8-11(13)15(16)9-3-5-14(20-2)12(18)7-9/h3-8,15H,1-2H3.
What are the key properties of 2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene?
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene has a molecular weight of 376.08 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene is sourced from PubChem (CID 63439018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).