(1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol

C13H17FO2S — CID 106496639

IUPAC(1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(SCC2CCCO2)c(F)c1
InChIInChI=1S/C13H17FO2S/c1-9(15)10-4-5-13(12(14)7-10)17-8-11-3-2-6-16-11/h4-5,7,9,11,15H,2-3,6,8H2,1H3/t9-,11?/m1/s1
InChIKeyNIYPEVHYLITDTO-BFHBGLAWSA-N
MW256.34 g/mol
LogP3.15
Rot. Bonds4

About (1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol

(1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol (PubChem CID 106496639) has the molecular formula C13H17FO2S and a molecular weight of 256.34 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
PubChem CID106496639
Molecular FormulaC13H17FO2S
Molecular Weight256.34 g/mol
Exact Mass256.09
IUPAC Name(1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(SCC2CCCO2)c(F)c1
InChIInChI=1S/C13H17FO2S/c1-9(15)10-4-5-13(12(14)7-10)17-8-11-3-2-6-16-11/h4-5,7,9,11,15H,2-3,6,8H2,1H3/t9-,11?/m1/s1
InChIKeyNIYPEVHYLITDTO-BFHBGLAWSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol 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

1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]-N-methylethanamine
CID 106494705
(1S)-1-[3-nitro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496669
1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine
CID 106496521
(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496640
1-[4-bromo-2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496624
1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol
CID 61432196
5-fluoro-2-methoxy-4-(oxolan-2-ylmethylsulfanyl)aniline
CID 107260230
5-fluoro-2-(oxolan-2-ylmethylsulfanyl)-4-propan-2-yloxyaniline
CID 106493994
(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol
CID 78951666
4-fluoro-3-(oxan-2-ylmethylsulfanyl)benzoic acid
CID 80556406
1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 82316272
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol (CID 106496639) is (1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol is C[C@@H](O)c1ccc(SCC2CCCO2)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol?
The InChIKey is NIYPEVHYLITDTO-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H17FO2S/c1-9(15)10-4-5-13(12(14)7-10)17-8-11-3-2-6-16-11/h4-5,7,9,11,15H,2-3,6,8H2,1H3/t9-,11?/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol?
(1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol has a molecular weight of 256.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 106496639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).