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

C13H18O2S — CID 106496640

IUPAC(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1SCC1CCCO1
InChIInChI=1S/C13H18O2S/c1-10(14)12-6-2-3-7-13(12)16-9-11-5-4-8-15-11/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3/t10-,11?/m1/s1
InChIKeyWPLIDUTVXQFVBW-NFJWQWPMSA-N
MW238.35 g/mol
LogP3.01
Rot. Bonds4

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

(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol (PubChem CID 106496640) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
PubChem CID106496640
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1SCC1CCCO1
InChIInChI=1S/C13H18O2S/c1-10(14)12-6-2-3-7-13(12)16-9-11-5-4-8-15-11/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3/t10-,11?/m1/s1
InChIKeyWPLIDUTVXQFVBW-NFJWQWPMSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496624
[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol
CID 106496659
(1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496639
(1S)-1-[3-nitro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496669
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate
CID 8733306
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
2-chloro-6-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495918
methyl 2-amino-3-(oxolan-2-ylmethylsulfanyl)benzoate
CID 106495160
2-[(4-phenylphenyl)sulfanylmethyl]oxolane
CID 60518989
2-bromo-6-(oxolan-2-ylmethylsulfanyl)benzonitrile
CID 106494363
[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
CID 106494963
8-(oxolan-2-ylmethylsulfanyl)quinoline
CID 5128598

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol (CID 106496640) is (1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol is C[C@@H](O)c1ccccc1SCC1CCCO1.
What is the InChIKey of (1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol?
The InChIKey is WPLIDUTVXQFVBW-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H18O2S/c1-10(14)12-6-2-3-7-13(12)16-9-11-5-4-8-15-11/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol?
(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol has a molecular weight of 238.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 106496640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).