1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene

C15H13BrClFO2 — CID 102877189

IUPAC1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2c(Br)cccc2CCl)c(F)c1
InChIInChI=1S/C15H13BrClFO2/c1-19-12-6-5-11(14(18)7-12)9-20-15-10(8-17)3-2-4-13(15)16/h2-7H,8-9H2,1H3
InChIKeyUNXVNVLTVAADLQ-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.91
Rot. Bonds5

About 1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene

1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene (PubChem CID 102877189) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
PubChem CID102877189
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2c(Br)cccc2CCl)c(F)c1
InChIInChI=1S/C15H13BrClFO2/c1-19-12-6-5-11(14(18)7-12)9-20-15-10(8-17)3-2-4-13(15)16/h2-7H,8-9H2,1H3
InChIKeyUNXVNVLTVAADLQ-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene
CID 102877183
1-(bromomethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene
CID 102877184
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
1-bromo-3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 106264501
2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 114857497
2-bromo-1-(chloromethyl)-4-methoxybenzene
CID 18624207
3-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 102876870
[3,5-difluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877122
4-bromo-3-[(2-fluoro-4-methoxyphenyl)methoxy]aniline
CID 103009094
1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene
CID 102877191
1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876103

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene (CID 102877189) is 1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2c(Br)cccc2CCl)c(F)c1.
What is the InChIKey of 1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene?
The InChIKey is UNXVNVLTVAADLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-19-12-6-5-11(14(18)7-12)9-20-15-10(8-17)3-2-4-13(15)16/h2-7H,8-9H2,1H3.
What are the key properties of 1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene?
1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene has a molecular weight of 359.62 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 102877189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).