3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol

C13H17FO3 — CID 91658309

IUPAC3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
SMILESOC(CCC1OCCCO1)c1cccc(F)c1
InChIInChI=1S/C13H17FO3/c14-11-4-1-3-10(9-11)12(15)5-6-13-16-7-2-8-17-13/h1,3-4,9,12-13,15H,2,5-8H2
InChIKeyBRRYIYPNYFDTCF-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.40
Rot. Bonds4

About 3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol

3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol (PubChem CID 91658309) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
PubChem CID91658309
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
SMILESOC(CCC1OCCCO1)c1cccc(F)c1
InChIInChI=1S/C13H17FO3/c14-11-4-1-3-10(9-11)12(15)5-6-13-16-7-2-8-17-13/h1,3-4,9,12-13,15H,2,5-8H2
InChIKeyBRRYIYPNYFDTCF-UHFFFAOYSA-N
XLogP2.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
CID 97293344
(1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol
CID 97293246
(1S)-1-(4-bromophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 97293209
2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 79429959
1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62630319
5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
CID 115515411
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
(1S)-1-(2,3-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 97293217
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
(1S)-1-(3-fluorophenyl)-4,4-dimethylpentan-1-ol;(2R)-2-(3-fluorophenyl)oxirane
CID 161209370
3-(2,5-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62629462
2-[2-(2,4-difluorophenyl)sulfanylethyl]-1,3-dioxane
CID 66475176

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol (CID 91658309) is 3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol is OC(CCC1OCCCO1)c1cccc(F)c1.
What is the InChIKey of 3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is BRRYIYPNYFDTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c14-11-4-1-3-10(9-11)12(15)5-6-13-16-7-2-8-17-13/h1,3-4,9,12-13,15H,2,5-8H2.
What are the key properties of 3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol?
3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 240.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 91658309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).