[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol

C13H17FO2 — CID 114535533

IUPAC[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol
SMILESCC1OCCC1(CO)Cc1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-10-13(9-15,6-7-16-10)8-11-2-4-12(14)5-3-11/h2-5,10,15H,6-9H2,1H3
InChIKeyMUJUBUUOWKKYKP-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.16
Rot. Bonds3

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

[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol (PubChem CID 114535533) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol
PubChem CID114535533
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol
SMILESCC1OCCC1(CO)Cc1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-10-13(9-15,6-7-16-10)8-11-2-4-12(14)5-3-11/h2-5,10,15H,6-9H2,1H3
InChIKeyMUJUBUUOWKKYKP-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 104510415
3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717852
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661
[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol
CID 114535679
[3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol
CID 114535657
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
3-(bromomethyl)-3-[(3,4-difluorophenyl)methyl]-2-methyloxolane
CID 114535939
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
3-[(4-tert-butylphenyl)methyl]-3-(chloromethyl)-2-methyloxolane
CID 114535815
1-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]methanesulfonamide
CID 107271549
[2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-yl]methanol
CID 114535607
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol (CID 114535533) is [3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol is CC1OCCC1(CO)Cc1ccc(F)cc1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol?
The InChIKey is MUJUBUUOWKKYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-10-13(9-15,6-7-16-10)8-11-2-4-12(14)5-3-11/h2-5,10,15H,6-9H2,1H3.
What are the key properties of [3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol?
[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol has a molecular weight of 224.28 g/mol, XLogP of 2.16, 3 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-yl]methanol is sourced from PubChem (CID 114535533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).