4-(2-fluorophenyl)oxan-4-ol

C11H13FO2 — CID 63220717

IUPAC4-(2-fluorophenyl)oxan-4-ol
SMILESOC1(c2ccccc2F)CCOCC1
InChIInChI=1S/C11H13FO2/c12-10-4-2-1-3-9(10)11(13)5-7-14-8-6-11/h1-4,13H,5-8H2
InChIKeyCMEPQYJTLZHZHM-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.82
Rot. Bonds1

About 4-(2-fluorophenyl)oxan-4-ol

4-(2-fluorophenyl)oxan-4-ol (PubChem CID 63220717) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-(2-fluorophenyl)oxan-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)oxan-4-ol
PubChem CID63220717
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name4-(2-fluorophenyl)oxan-4-ol
SMILESOC1(c2ccccc2F)CCOCC1
InChIInChI=1S/C11H13FO2/c12-10-4-2-1-3-9(10)11(13)5-7-14-8-6-11/h1-4,13H,5-8H2
InChIKeyCMEPQYJTLZHZHM-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)oxan-4-ol
CID 63220219
4-(bromomethyl)-4-(2-fluorophenyl)oxane
CID 82093429
1-[2-(2-fluorophenyl)phenyl]cyclopentan-1-ol
CID 19036896
4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol
CID 117104442
(1R)-1-(2-fluorophenyl)-3,3-dimethylcyclopentan-1-ol
CID 124512737
1-[4-(2-fluorophenyl)oxan-4-yl]propan-2-amine
CID 170891269
3-[2-(trifluoromethyl)phenyl]oxolan-3-ol
CID 63331457
4-(2,5-dichlorophenyl)oxan-4-ol
CID 63220164
1-(3-fluoro-2-methylphenyl)cyclopropan-1-ol
CID 117276386
1-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]propan-2-one
CID 3228845
2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine
CID 83820638

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)oxan-4-ol?
The IUPAC name of 4-(2-fluorophenyl)oxan-4-ol (CID 63220717) is 4-(2-fluorophenyl)oxan-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)oxan-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)oxan-4-ol is OC1(c2ccccc2F)CCOCC1.
What is the InChIKey of 4-(2-fluorophenyl)oxan-4-ol?
The InChIKey is CMEPQYJTLZHZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c12-10-4-2-1-3-9(10)11(13)5-7-14-8-6-11/h1-4,13H,5-8H2.
What are the key properties of 4-(2-fluorophenyl)oxan-4-ol?
4-(2-fluorophenyl)oxan-4-ol has a molecular weight of 196.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)oxan-4-ol is sourced from PubChem (CID 63220717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).