3-[(2-fluoro-5-methylphenoxy)methyl]oxolane

C12H15FO2 — CID 64853732

IUPAC3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
SMILESCc1ccc(F)c(OCC2CCOC2)c1
InChIInChI=1S/C12H15FO2/c1-9-2-3-11(13)12(6-9)15-8-10-4-5-14-7-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyYJLDJJGCZGMAKW-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.55
Rot. Bonds3

About 3-[(2-fluoro-5-methylphenoxy)methyl]oxolane

3-[(2-fluoro-5-methylphenoxy)methyl]oxolane (PubChem CID 64853732) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methylphenoxy)methyl]oxolane.

Molecular Properties

Compound Name3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
PubChem CID64853732
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
SMILESCc1ccc(F)c(OCC2CCOC2)c1
InChIInChI=1S/C12H15FO2/c1-9-2-3-11(13)12(6-9)15-8-10-4-5-14-7-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyYJLDJJGCZGMAKW-UHFFFAOYSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide
CID 63676225
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 63639940
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104749553
3-[(2,5-dimethylphenoxy)methyl]oxetane
CID 116820130
[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615
[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
CID 99773305
3-[[4-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]methyl]oxolane
CID 123163022
3-(2-fluoro-5-methylphenoxy)oxan-4-amine
CID 64854428

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methylphenoxy)methyl]oxolane?
The IUPAC name of 3-[(2-fluoro-5-methylphenoxy)methyl]oxolane (CID 64853732) is 3-[(2-fluoro-5-methylphenoxy)methyl]oxolane.
What is the SMILES notation for 3-[(2-fluoro-5-methylphenoxy)methyl]oxolane?
The canonical SMILES for 3-[(2-fluoro-5-methylphenoxy)methyl]oxolane is Cc1ccc(F)c(OCC2CCOC2)c1.
What is the InChIKey of 3-[(2-fluoro-5-methylphenoxy)methyl]oxolane?
The InChIKey is YJLDJJGCZGMAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-9-2-3-11(13)12(6-9)15-8-10-4-5-14-7-10/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 3-[(2-fluoro-5-methylphenoxy)methyl]oxolane?
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane has a molecular weight of 210.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-5-methylphenoxy)methyl]oxolane is sourced from PubChem (CID 64853732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).