2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane

C13H17FO2 — CID 103141088

IUPAC2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
SMILESCc1ccc(F)cc1OCC1CCC(C)O1
InChIInChI=1S/C13H17FO2/c1-9-3-5-11(14)7-13(9)15-8-12-6-4-10(2)16-12/h3,5,7,10,12H,4,6,8H2,1-2H3
InChIKeyWWAHNVVSTXNKNL-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.08
Rot. Bonds3

About 2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane

2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane (PubChem CID 103141088) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
PubChem CID103141088
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
SMILESCc1ccc(F)cc1OCC1CCC(C)O1
InChIInChI=1S/C13H17FO2/c1-9-3-5-11(14)7-13(9)15-8-12-6-4-10(2)16-12/h3,5,7,10,12H,4,6,8H2,1-2H3
InChIKeyWWAHNVVSTXNKNL-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane 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

2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
CID 103134451
4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132582
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
potassium trifluoro-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135595
trifluoro-[5-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135573
(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133258
3-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 103136462
4-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 103136463
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
[3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 107690882

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane?
The IUPAC name of 2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane (CID 103141088) is 2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane?
The canonical SMILES for 2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane is Cc1ccc(F)cc1OCC1CCC(C)O1.
What is the InChIKey of 2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane?
The InChIKey is WWAHNVVSTXNKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-9-3-5-11(14)7-13(9)15-8-12-6-4-10(2)16-12/h3,5,7,10,12H,4,6,8H2,1-2H3.
What are the key properties of 2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane?
2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane has a molecular weight of 224.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane is sourced from PubChem (CID 103141088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).