[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol

C12H16O2S — CID 106496659

IUPAC[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol
SMILESOCc1ccccc1SCC1CCCO1
InChIInChI=1S/C12H16O2S/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-2,4,6,11,13H,3,5,7-9H2
InChIKeyJOMYVONZGNOPFU-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.45
Rot. Bonds4

About [2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol

[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol (PubChem CID 106496659) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is [2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol
PubChem CID106496659
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol
SMILESOCc1ccccc1SCC1CCCO1
InChIInChI=1S/C12H16O2S/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-2,4,6,11,13H,3,5,7-9H2
InChIKeyJOMYVONZGNOPFU-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol 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

(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496640
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
2-chloro-6-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495918
2-[(4-phenylphenyl)sulfanylmethyl]oxolane
CID 60518989
8-(oxolan-2-ylmethylsulfanyl)quinoline
CID 5128598
[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
CID 106494963
2-bromo-6-(oxolan-2-ylmethylsulfanyl)benzonitrile
CID 106494363
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
4-chloro-2-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495939
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9400725
methyl 2-amino-3-(oxolan-2-ylmethylsulfanyl)benzoate
CID 106495160

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol?
The IUPAC name of [2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol (CID 106496659) is [2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol.
What is the SMILES notation for [2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol?
The canonical SMILES for [2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol is OCc1ccccc1SCC1CCCO1.
What is the InChIKey of [2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol?
The InChIKey is JOMYVONZGNOPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-2,4,6,11,13H,3,5,7-9H2.
What are the key properties of [2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol?
[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol has a molecular weight of 224.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 106496659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).