3-(4-fluoro-3-methylphenoxy)oxane

C12H15FO2 — CID 107137923

IUPAC3-(4-fluoro-3-methylphenoxy)oxane
SMILESCc1cc(OC2CCCOC2)ccc1F
InChIInChI=1S/C12H15FO2/c1-9-7-10(4-5-12(9)13)15-11-3-2-6-14-8-11/h4-5,7,11H,2-3,6,8H2,1H3
InChIKeySOOWYKZYLMVEMH-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.69
Rot. Bonds2

About 3-(4-fluoro-3-methylphenoxy)oxane

3-(4-fluoro-3-methylphenoxy)oxane (PubChem CID 107137923) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenoxy)oxane.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenoxy)oxane
PubChem CID107137923
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name3-(4-fluoro-3-methylphenoxy)oxane
SMILESCc1cc(OC2CCCOC2)ccc1F
InChIInChI=1S/C12H15FO2/c1-9-7-10(4-5-12(9)13)15-11-3-2-6-14-8-11/h4-5,7,11H,2-3,6,8H2,1H3
InChIKeySOOWYKZYLMVEMH-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluoro-3-methylphenoxy)oxane 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

(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553
3-(3-bromo-4-fluorophenoxy)oxane
CID 107134793
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
(3R)-3-(4-bromo-3-methylphenoxy)oxolane
CID 138986690
2-fluoro-5-(oxan-3-yloxy)pyridine
CID 107138049
1-[2-fluoro-4-(oxan-3-yloxy)phenyl]piperidin-4-amine
CID 107137326
4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine
CID 90260319
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
CID 178142322
trifluoro-[3-methyl-4-(oxan-3-yloxy)phenyl]boranuide
CID 107135258
2-fluoro-4-(oxolan-3-yloxy)benzaldehyde
CID 142441431
1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117440934

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenoxy)oxane?
The IUPAC name of 3-(4-fluoro-3-methylphenoxy)oxane (CID 107137923) is 3-(4-fluoro-3-methylphenoxy)oxane.
What is the SMILES notation for 3-(4-fluoro-3-methylphenoxy)oxane?
The canonical SMILES for 3-(4-fluoro-3-methylphenoxy)oxane is Cc1cc(OC2CCCOC2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenoxy)oxane?
The InChIKey is SOOWYKZYLMVEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-9-7-10(4-5-12(9)13)15-11-3-2-6-14-8-11/h4-5,7,11H,2-3,6,8H2,1H3.
What are the key properties of 3-(4-fluoro-3-methylphenoxy)oxane?
3-(4-fluoro-3-methylphenoxy)oxane has a molecular weight of 210.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenoxy)oxane is sourced from PubChem (CID 107137923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).