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

C14H19FO2 — CID 79429959

IUPAC2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
SMILESOCC(CCC1CCCO1)c1cccc(F)c1
InChIInChI=1S/C14H19FO2/c15-13-4-1-3-11(9-13)12(10-16)6-7-14-5-2-8-17-14/h1,3-4,9,12,14,16H,2,5-8,10H2
InChIKeyVMLUNPWEQVTDCN-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.86
Rot. Bonds5

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

2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol (PubChem CID 79429959) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
PubChem CID79429959
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
SMILESOCC(CCC1CCCO1)c1cccc(F)c1
InChIInChI=1S/C14H19FO2/c15-13-4-1-3-11(9-13)12(10-16)6-7-14-5-2-8-17-14/h1,3-4,9,12,14,16H,2,5-8,10H2
InChIKeyVMLUNPWEQVTDCN-UHFFFAOYSA-N
XLogP2.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol 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

2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79443258
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
1-(3-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 114454051
(1R)-3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
CID 97293344
3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
CID 91658309
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79438066
N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
CID 79443247
1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol (CID 79429959) is 2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol is OCC(CCC1CCCO1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is VMLUNPWEQVTDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c15-13-4-1-3-11(9-13)12(10-16)6-7-14-5-2-8-17-14/h1,3-4,9,12,14,16H,2,5-8,10H2.
What are the key properties of 2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol?
2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 238.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 79429959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).