3-(3-fluoro-4-methylphenoxy)oxan-4-ol

C12H15FO3 — CID 107170261

IUPAC3-(3-fluoro-4-methylphenoxy)oxan-4-ol
SMILESCc1ccc(OC2COCCC2O)cc1F
InChIInChI=1S/C12H15FO3/c1-8-2-3-9(6-10(8)13)16-12-7-15-5-4-11(12)14/h2-3,6,11-12,14H,4-5,7H2,1H3
InChIKeyDQYBPRUEIJHSEN-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.66
Rot. Bonds2

About 3-(3-fluoro-4-methylphenoxy)oxan-4-ol

3-(3-fluoro-4-methylphenoxy)oxan-4-ol (PubChem CID 107170261) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenoxy)oxan-4-ol.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenoxy)oxan-4-ol
PubChem CID107170261
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name3-(3-fluoro-4-methylphenoxy)oxan-4-ol
SMILESCc1ccc(OC2COCCC2O)cc1F
InChIInChI=1S/C12H15FO3/c1-8-2-3-9(6-10(8)13)16-12-7-15-5-4-11(12)14/h2-3,6,11-12,14H,4-5,7H2,1H3
InChIKeyDQYBPRUEIJHSEN-UHFFFAOYSA-N
XLogP1.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-(4-bromo-3-fluorophenoxy)oxan-4-ol
CID 170792417
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170256
3-(3,4-dimethylphenoxy)oxan-4-amine
CID 43608875
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553
2-(3,4-dimethylphenoxy)cyclobutan-1-ol
CID 164664143
4-(3-chloro-2-methoxycyclobutyl)oxy-2-fluoro-1-methylbenzene
CID 107171631
2-(3-fluoro-4-methylphenoxy)-5-hydroxycycloheptan-1-one
CID 172617468
4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene
CID 107171488
3-(4-fluoro-3-methylphenoxy)oxane
CID 107137923
9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 107171386

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenoxy)oxan-4-ol?
The IUPAC name of 3-(3-fluoro-4-methylphenoxy)oxan-4-ol (CID 107170261) is 3-(3-fluoro-4-methylphenoxy)oxan-4-ol.
What is the SMILES notation for 3-(3-fluoro-4-methylphenoxy)oxan-4-ol?
The canonical SMILES for 3-(3-fluoro-4-methylphenoxy)oxan-4-ol is Cc1ccc(OC2COCCC2O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenoxy)oxan-4-ol?
The InChIKey is DQYBPRUEIJHSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8-2-3-9(6-10(8)13)16-12-7-15-5-4-11(12)14/h2-3,6,11-12,14H,4-5,7H2,1H3.
What are the key properties of 3-(3-fluoro-4-methylphenoxy)oxan-4-ol?
3-(3-fluoro-4-methylphenoxy)oxan-4-ol has a molecular weight of 226.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenoxy)oxan-4-ol is sourced from PubChem (CID 107170261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).