1-[2-(thietan-3-yl)phenyl]ethanol

C11H14OS — CID 117284888

IUPAC1-[2-(thietan-3-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1C1CSC1
InChIInChI=1S/C11H14OS/c1-8(12)10-4-2-3-5-11(10)9-6-13-7-9/h2-5,8-9,12H,6-7H2,1H3
InChIKeyGZOUCEUOCWGOPQ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.57
Rot. Bonds2

About 1-[2-(thietan-3-yl)phenyl]ethanol

1-[2-(thietan-3-yl)phenyl]ethanol (PubChem CID 117284888) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-[2-(thietan-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(thietan-3-yl)phenyl]ethanol
PubChem CID117284888
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-[2-(thietan-3-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1C1CSC1
InChIInChI=1S/C11H14OS/c1-8(12)10-4-2-3-5-11(10)9-6-13-7-9/h2-5,8-9,12H,6-7H2,1H3
InChIKeyGZOUCEUOCWGOPQ-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(thietan-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thietan-3-yl)phenyl]ethanol?
The IUPAC name of 1-[2-(thietan-3-yl)phenyl]ethanol (CID 117284888) is 1-[2-(thietan-3-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(thietan-3-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-(thietan-3-yl)phenyl]ethanol is CC(O)c1ccccc1C1CSC1.
What is the InChIKey of 1-[2-(thietan-3-yl)phenyl]ethanol?
The InChIKey is GZOUCEUOCWGOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-8(12)10-4-2-3-5-11(10)9-6-13-7-9/h2-5,8-9,12H,6-7H2,1H3.
What are the key properties of 1-[2-(thietan-3-yl)phenyl]ethanol?
1-[2-(thietan-3-yl)phenyl]ethanol has a molecular weight of 194.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thietan-3-yl)phenyl]ethanol is sourced from PubChem (CID 117284888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).