3-[(3-fluorophenyl)methyl]oxan-4-ol

C12H15FO2 — CID 71649867

IUPAC3-[(3-fluorophenyl)methyl]oxan-4-ol
SMILESOC1CCOCC1Cc1cccc(F)c1
InChIInChI=1S/C12H15FO2/c13-11-3-1-2-9(7-11)6-10-8-15-5-4-12(10)14/h1-3,7,10,12,14H,4-6,8H2
InChIKeyAAZGDJMOXOLIAJ-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.77
Rot. Bonds2

About 3-[(3-fluorophenyl)methyl]oxan-4-ol

3-[(3-fluorophenyl)methyl]oxan-4-ol (PubChem CID 71649867) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]oxan-4-ol
PubChem CID71649867
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name3-[(3-fluorophenyl)methyl]oxan-4-ol
SMILESOC1CCOCC1Cc1cccc(F)c1
InChIInChI=1S/C12H15FO2/c13-11-3-1-2-9(7-11)6-10-8-15-5-4-12(10)14/h1-3,7,10,12,14H,4-6,8H2
InChIKeyAAZGDJMOXOLIAJ-UHFFFAOYSA-N
XLogP1.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
CID 97169046
3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol
CID 106471356
(3S,4S)-3-[(3-fluorophenyl)methyl]-N-propan-2-yloxan-4-amine
CID 97175070
(3R,4R)-3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 97166777
3-[(3-fluorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 71646880
N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
CID 71648912
3-[(4-hydroxyphenyl)methyl]oxan-4-ol
CID 106471081
3-[(4-chlorophenyl)methyl]oxan-4-ol
CID 71649863
3-[(4-tert-butylphenyl)methyl]oxan-4-ol
CID 106471360
3-(4-phenylbutyl)oxan-4-ol
CID 106471164
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
1-[(3-fluorophenyl)methyl]-3-[(3S,4R)-3-hydroxyoxan-4-yl]urea
CID 91768630

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]oxan-4-ol?
The IUPAC name of 3-[(3-fluorophenyl)methyl]oxan-4-ol (CID 71649867) is 3-[(3-fluorophenyl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]oxan-4-ol is OC1CCOCC1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]oxan-4-ol?
The InChIKey is AAZGDJMOXOLIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c13-11-3-1-2-9(7-11)6-10-8-15-5-4-12(10)14/h1-3,7,10,12,14H,4-6,8H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]oxan-4-ol?
3-[(3-fluorophenyl)methyl]oxan-4-ol has a molecular weight of 210.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]oxan-4-ol is sourced from PubChem (CID 71649867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).