[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol

C13H17FO2 — CID 66024317

IUPAC[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCOCC1
InChIInChI=1S/C13H17FO2/c14-12-4-2-1-3-11(12)9-13(10-15)5-7-16-8-6-13/h1-4,15H,5-10H2
InChIKeyFNSXLCQKGXOLIO-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.16
Rot. Bonds3

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

[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol (PubChem CID 66024317) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol
PubChem CID66024317
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCOCC1
InChIInChI=1S/C13H17FO2/c14-12-4-2-1-3-11(12)9-13(10-15)5-7-16-8-6-13/h1-4,15H,5-10H2
InChIKeyFNSXLCQKGXOLIO-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

Analyze [4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 55111300
[1-[(2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66024201
3-[(2-fluorophenyl)methyl]oxane-3-carboxylic acid
CID 55149955
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478431
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 155986729
[1-(2,3-dihydro-1H-inden-2-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45240458
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol
CID 99820181
[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol
CID 45215680
3-(bromomethyl)-3-[(2-chloro-3-fluorophenyl)methyl]oxolane
CID 112654905

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol (CID 66024317) is [4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol is OCC1(Cc2ccccc2F)CCOCC1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol?
The InChIKey is FNSXLCQKGXOLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c14-12-4-2-1-3-11(12)9-13(10-15)5-7-16-8-6-13/h1-4,15H,5-10H2.
What are the key properties of [4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol?
[4-[(2-fluorophenyl)methyl]oxan-4-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 [4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 66024317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).