2-[(3-fluorooxolan-3-yl)methyl]phenol

C11H13FO2 — CID 84720722

IUPAC2-[(3-fluorooxolan-3-yl)methyl]phenol
SMILESOc1ccccc1CC1(F)CCOC1
InChIInChI=1S/C11H13FO2/c12-11(5-6-14-8-11)7-9-3-1-2-4-10(9)13/h1-4,13H,5-8H2
InChIKeyAVOXFGKHAPLJIO-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.06
Rot. Bonds2

About 2-[(3-fluorooxolan-3-yl)methyl]phenol

2-[(3-fluorooxolan-3-yl)methyl]phenol (PubChem CID 84720722) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-[(3-fluorooxolan-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(3-fluorooxolan-3-yl)methyl]phenol
PubChem CID84720722
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-[(3-fluorooxolan-3-yl)methyl]phenol
SMILESOc1ccccc1CC1(F)CCOC1
InChIInChI=1S/C11H13FO2/c12-11(5-6-14-8-11)7-9-3-1-2-4-10(9)13/h1-4,13H,5-8H2
InChIKeyAVOXFGKHAPLJIO-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorooxolan-3-yl)methyl]phenol?
The IUPAC name of 2-[(3-fluorooxolan-3-yl)methyl]phenol (CID 84720722) is 2-[(3-fluorooxolan-3-yl)methyl]phenol.
What is the SMILES notation for 2-[(3-fluorooxolan-3-yl)methyl]phenol?
The canonical SMILES for 2-[(3-fluorooxolan-3-yl)methyl]phenol is Oc1ccccc1CC1(F)CCOC1.
What is the InChIKey of 2-[(3-fluorooxolan-3-yl)methyl]phenol?
The InChIKey is AVOXFGKHAPLJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c12-11(5-6-14-8-11)7-9-3-1-2-4-10(9)13/h1-4,13H,5-8H2.
What are the key properties of 2-[(3-fluorooxolan-3-yl)methyl]phenol?
2-[(3-fluorooxolan-3-yl)methyl]phenol has a molecular weight of 196.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorooxolan-3-yl)methyl]phenol is sourced from PubChem (CID 84720722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).