5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene

C16H15ClF2O2 — CID 107666217

IUPAC5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene
SMILESCCc1ccc(Oc2c(F)cc(CCl)cc2F)c(OC)c1
InChIInChI=1S/C16H15ClF2O2/c1-3-10-4-5-14(15(8-10)20-2)21-16-12(18)6-11(9-17)7-13(16)19/h4-8H,3,9H2,1-2H3
InChIKeyQKFWKFSAKZKXLJ-UHFFFAOYSA-N
MW312.74 g/mol
LogP5.07
Rot. Bonds5

About 5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene

5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene (PubChem CID 107666217) has the molecular formula C16H15ClF2O2 and a molecular weight of 312.74 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene
PubChem CID107666217
Molecular FormulaC16H15ClF2O2
Molecular Weight312.74 g/mol
Exact Mass312.07
IUPAC Name5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene
SMILESCCc1ccc(Oc2c(F)cc(CCl)cc2F)c(OC)c1
InChIInChI=1S/C16H15ClF2O2/c1-3-10-4-5-14(15(8-10)20-2)21-16-12(18)6-11(9-17)7-13(16)19/h4-8H,3,9H2,1-2H3
InChIKeyQKFWKFSAKZKXLJ-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.74
LogP ≤ 55.07
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

5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
CID 63075510
1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
CID 103175217
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene
CID 63076728
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol
CID 107665951
1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine
CID 174712514
4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole
CID 107667602
1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
CID 107665218
1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
CID 63565884
[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene?
The IUPAC name of 5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene (CID 107666217) is 5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene.
What is the SMILES notation for 5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene?
The canonical SMILES for 5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene is CCc1ccc(Oc2c(F)cc(CCl)cc2F)c(OC)c1.
What is the InChIKey of 5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene?
The InChIKey is QKFWKFSAKZKXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O2/c1-3-10-4-5-14(15(8-10)20-2)21-16-12(18)6-11(9-17)7-13(16)19/h4-8H,3,9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene?
5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene has a molecular weight of 312.74 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene is sourced from PubChem (CID 107666217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).