1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene

C15H14BrClO2 — CID 112613844

IUPAC1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2c(Cl)cccc2CBr)cc1
InChIInChI=1S/C15H14BrClO2/c1-18-13-7-5-11(6-8-13)10-19-15-12(9-16)3-2-4-14(15)17/h2-8H,9-10H2,1H3
InChIKeyKGTWAMWYCLTJFK-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.82
Rot. Bonds5

About 1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene

1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 112613844) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene
PubChem CID112613844
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2c(Cl)cccc2CBr)cc1
InChIInChI=1S/C15H14BrClO2/c1-18-13-7-5-11(6-8-13)10-19-15-12(9-16)3-2-4-14(15)17/h2-8H,9-10H2,1H3
InChIKeyKGTWAMWYCLTJFK-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)-3-chloro-2-[(4-ethylphenyl)methoxy]benzene
CID 112613813
1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
CID 112613744
2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine
CID 112613819
[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 61391527
1-(bromomethyl)-3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzene
CID 112613816
[3,5-dichloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43516151
1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551586
1-(bromomethyl)-3-chloro-2-octoxybenzene
CID 112613741
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
CID 112614206
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene
CID 114067983

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene (CID 112613844) is 1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2c(Cl)cccc2CBr)cc1.
What is the InChIKey of 1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is KGTWAMWYCLTJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-18-13-7-5-11(6-8-13)10-19-15-12(9-16)3-2-4-14(15)17/h2-8H,9-10H2,1H3.
What are the key properties of 1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene?
1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene 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)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 112613844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).