1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene

C15H14BrClO2 — CID 63534195

IUPAC1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(CBr)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14BrClO2/c1-18-14-7-4-12(9-16)15(8-14)19-10-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3
InChIKeyVEIIWTOTJSFVOJ-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.82
Rot. Bonds5

About 1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene

1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene (PubChem CID 63534195) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
PubChem CID63534195
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(CBr)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14BrClO2/c1-18-14-7-4-12(9-16)15(8-14)19-10-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3
InChIKeyVEIIWTOTJSFVOJ-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
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-(bromomethyl)-4-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63534360
1-(bromomethyl)-2-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxybenzene
CID 61267627
2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
CID 63536563
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene
CID 65477833
1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 103037822
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
1-(bromomethyl)-4-methoxy-2-(3-methylbutoxy)benzene
CID 61269278
1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene
CID 80694443

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene?
The IUPAC name of 1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene (CID 63534195) is 1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene is COc1ccc(CBr)c(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene?
The InChIKey is VEIIWTOTJSFVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-18-14-7-4-12(9-16)15(8-14)19-10-11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene?
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene has a molecular weight of 341.63 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene is sourced from PubChem (CID 63534195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).