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

C16H16ClFO3 — CID 102877183

IUPAC1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene
SMILESCOc1ccc(COc2c(CCl)cccc2OC)c(F)c1
InChIInChI=1S/C16H16ClFO3/c1-19-13-7-6-12(14(18)8-13)10-21-16-11(9-17)4-3-5-15(16)20-2/h3-8H,9-10H2,1-2H3
InChIKeyZQFNZUPPSRQOKQ-UHFFFAOYSA-N
MW310.75 g/mol
LogP4.16
Rot. Bonds6

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

1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene (PubChem CID 102877183) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is 1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene
PubChem CID102877183
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene
SMILESCOc1ccc(COc2c(CCl)cccc2OC)c(F)c1
InChIInChI=1S/C16H16ClFO3/c1-19-13-7-6-12(14(18)8-13)10-21-16-11(9-17)4-3-5-15(16)20-2/h3-8H,9-10H2,1-2H3
InChIKeyZQFNZUPPSRQOKQ-UHFFFAOYSA-N
XLogP4.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102877189
1-(bromomethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene
CID 102877184
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene
CID 80695590
1-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-2-fluoro-4-methoxybenzene
CID 102877191
3-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 102876870
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
[3,5-difluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877122
1,4-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene?
The IUPAC name of 1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene (CID 102877183) is 1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene.
What is the SMILES notation for 1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene?
The canonical SMILES for 1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene is COc1ccc(COc2c(CCl)cccc2OC)c(F)c1.
What is the InChIKey of 1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene?
The InChIKey is ZQFNZUPPSRQOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-19-13-7-6-12(14(18)8-13)10-21-16-11(9-17)4-3-5-15(16)20-2/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene?
1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene has a molecular weight of 310.75 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene is sourced from PubChem (CID 102877183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).