5-propan-2-ylthiophen-2-ol

C7H10OS — CID 66520207

IUPAC5-propan-2-ylthiophen-2-ol
SMILESCC(C)c1ccc(O)s1
InChIInChI=1S/C7H10OS/c1-5(2)6-3-4-7(8)9-6/h3-5,8H,1-2H3
InChIKeyOAGMQQSAQXGIQD-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.58
Rot. Bonds1

About 5-propan-2-ylthiophen-2-ol

5-propan-2-ylthiophen-2-ol (PubChem CID 66520207) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 5-propan-2-ylthiophen-2-ol.

Molecular Properties

Compound Name5-propan-2-ylthiophen-2-ol
PubChem CID66520207
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name5-propan-2-ylthiophen-2-ol
SMILESCC(C)c1ccc(O)s1
InChIInChI=1S/C7H10OS/c1-5(2)6-3-4-7(8)9-6/h3-5,8H,1-2H3
InChIKeyOAGMQQSAQXGIQD-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propan-2-ylthiophen-2-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-propan-2-ylthiophen-2-ol?
The IUPAC name of 5-propan-2-ylthiophen-2-ol (CID 66520207) is 5-propan-2-ylthiophen-2-ol.
What is the SMILES notation for 5-propan-2-ylthiophen-2-ol?
The canonical SMILES for 5-propan-2-ylthiophen-2-ol is CC(C)c1ccc(O)s1.
What is the InChIKey of 5-propan-2-ylthiophen-2-ol?
The InChIKey is OAGMQQSAQXGIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-5(2)6-3-4-7(8)9-6/h3-5,8H,1-2H3.
What are the key properties of 5-propan-2-ylthiophen-2-ol?
5-propan-2-ylthiophen-2-ol has a molecular weight of 142.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylthiophen-2-ol is sourced from PubChem (CID 66520207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).