4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene

C15H14BrClO2 — CID 55225136

IUPAC4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
SMILESCOc1ccccc1COc1ccc(Br)cc1CCl
InChIInChI=1S/C15H14BrClO2/c1-18-14-5-3-2-4-11(14)10-19-15-7-6-13(16)8-12(15)9-17/h2-8H,9-10H2,1H3
InChIKeyUZHXFUWCCSQQBF-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.78
Rot. Bonds5

About 4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene

4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene (PubChem CID 55225136) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
PubChem CID55225136
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
SMILESCOc1ccccc1COc1ccc(Br)cc1CCl
InChIInChI=1S/C15H14BrClO2/c1-18-14-5-3-2-4-11(14)10-19-15-7-6-13(16)8-12(15)9-17/h2-8H,9-10H2,1H3
InChIKeyUZHXFUWCCSQQBF-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.78
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

4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495
1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
CID 54940328
2-[(5-bromo-2-methoxyphenyl)methoxy]benzaldehyde
CID 60710592
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208055
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 114321006
2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 28981493
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
CID 102939906
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
CID 63458235

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene?
The IUPAC name of 4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene (CID 55225136) is 4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene is COc1ccccc1COc1ccc(Br)cc1CCl.
What is the InChIKey of 4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene?
The InChIKey is UZHXFUWCCSQQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-18-14-5-3-2-4-11(14)10-19-15-7-6-13(16)8-12(15)9-17/h2-8H,9-10H2,1H3.
What are the key properties of 4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene?
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene has a molecular weight of 341.63 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 55225136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).