5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol

C14H20OS — CID 79949213

IUPAC5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol
SMILESCC1CC(O)(c2ccc(C(C)C)cc2)CS1
InChIInChI=1S/C14H20OS/c1-10(2)12-4-6-13(7-5-12)14(15)8-11(3)16-9-14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyPFSLDCRSRPNEGE-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.52
Rot. Bonds2

About 5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol

5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol (PubChem CID 79949213) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol.

Molecular Properties

Compound Name5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol
PubChem CID79949213
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol
SMILESCC1CC(O)(c2ccc(C(C)C)cc2)CS1
InChIInChI=1S/C14H20OS/c1-10(2)12-4-6-13(7-5-12)14(15)8-11(3)16-9-14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyPFSLDCRSRPNEGE-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol 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 5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol?
The IUPAC name of 5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol (CID 79949213) is 5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol.
What is the SMILES notation for 5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol?
The canonical SMILES for 5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol is CC1CC(O)(c2ccc(C(C)C)cc2)CS1.
What is the InChIKey of 5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol?
The InChIKey is PFSLDCRSRPNEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-10(2)12-4-6-13(7-5-12)14(15)8-11(3)16-9-14/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol?
5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol has a molecular weight of 236.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol is sourced from PubChem (CID 79949213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).