3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol

C12H15FO2 — CID 82717852

IUPAC3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-9-12(14,6-7-15-9)8-10-2-4-11(13)5-3-10/h2-5,9,14H,6-8H2,1H3
InChIKeyCCLUDWBKMYIMNW-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.91
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol

3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol (PubChem CID 82717852) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
PubChem CID82717852
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-9-12(14,6-7-15-9)8-10-2-4-11(13)5-3-10/h2-5,9,14H,6-8H2,1H3
InChIKeyCCLUDWBKMYIMNW-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol (CID 82717852) is 3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol?
The InChIKey is CCLUDWBKMYIMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-9-12(14,6-7-15-9)8-10-2-4-11(13)5-3-10/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol?
3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol has a molecular weight of 210.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 82717852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).