2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol

C13H17FO2 — CID 79438066

IUPAC2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESOCC(CC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c14-12-5-3-10(4-6-12)11(9-15)8-13-2-1-7-16-13/h3-6,11,13,15H,1-2,7-9H2
InChIKeyGEGVFQCSRDJTOX-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.47
Rot. Bonds4

About 2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol

2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 79438066) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID79438066
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESOCC(CC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c14-12-5-3-10(4-6-12)11(9-15)8-13-2-1-7-16-13/h3-6,11,13,15H,1-2,7-9H2
InChIKeyGEGVFQCSRDJTOX-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine
CID 79437936
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 79438523
2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 79429959
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 79437798
(1S)-2-[cyclopropyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-(4-fluorophenyl)ethanol
CID 129424046
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine
CID 43196282
1-(4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 55099454
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 60697164
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62791649

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol (CID 79438066) is 2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol is OCC(CC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is GEGVFQCSRDJTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c14-12-5-3-10(4-6-12)11(9-15)8-13-2-1-7-16-13/h3-6,11,13,15H,1-2,7-9H2.
What are the key properties of 2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol?
2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 79438066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).