1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene

C14H12ClFO2 — CID 114067984

IUPAC1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene
SMILESCOc1ccc(Oc2c(F)cccc2CCl)cc1
InChIInChI=1S/C14H12ClFO2/c1-17-11-5-7-12(8-6-11)18-14-10(9-15)3-2-4-13(14)16/h2-8H,9H2,1H3
InChIKeyUUAUXXBQABJEEB-UHFFFAOYSA-N
MW266.70 g/mol
LogP4.37
Rot. Bonds4

About 1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene

1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene (PubChem CID 114067984) has the molecular formula C14H12ClFO2 and a molecular weight of 266.70 g/mol. Its IUPAC name is 1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene
PubChem CID114067984
Molecular FormulaC14H12ClFO2
Molecular Weight266.70 g/mol
Exact Mass266.05
IUPAC Name1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene
SMILESCOc1ccc(Oc2c(F)cccc2CCl)cc1
InChIInChI=1S/C14H12ClFO2/c1-17-11-5-7-12(8-6-11)18-14-10(9-15)3-2-4-13(14)16/h2-8H,9H2,1H3
InChIKeyUUAUXXBQABJEEB-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.37
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-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene
CID 114067983
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine
CID 115956685
1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114069268
1-bromo-3-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102877189
1-(chloromethyl)-2-[(2-fluoro-4-methoxyphenyl)methoxy]-3-methoxybenzene
CID 102877183
2-[2-(chloromethyl)-6-fluorophenoxy]-6-fluorobenzonitrile
CID 114068006
[2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol
CID 114067647
1-(chloromethyl)-3-fluoro-2-(3-methoxy-3-methylbutoxy)benzene
CID 103034330
1-(bromomethyl)-3-fluoro-2-(4-propylphenoxy)benzene
CID 114068020
1-(chloromethyl)-2-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 112613586
1-(chloromethyl)-3-fluoro-2-nonoxybenzene
CID 112613670
1-(chloromethyl)-3-fluoro-2-octoxybenzene
CID 112613575

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene?
The IUPAC name of 1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene (CID 114067984) is 1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene.
What is the SMILES notation for 1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene?
The canonical SMILES for 1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene is COc1ccc(Oc2c(F)cccc2CCl)cc1.
What is the InChIKey of 1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene?
The InChIKey is UUAUXXBQABJEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO2/c1-17-11-5-7-12(8-6-11)18-14-10(9-15)3-2-4-13(14)16/h2-8H,9H2,1H3.
What are the key properties of 1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene?
1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene has a molecular weight of 266.70 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene is sourced from PubChem (CID 114067984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).