2-(4-methylthiophen-3-yl)propan-2-ol

C8H12OS — CID 58488176

IUPAC2-(4-methylthiophen-3-yl)propan-2-ol
SMILESCc1cscc1C(C)(C)O
InChIInChI=1S/C8H12OS/c1-6-4-10-5-7(6)8(2,3)9/h4-5,9H,1-3H3
InChIKeyDAUWVBFIBAWFIY-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.28
Rot. Bonds1

About 2-(4-methylthiophen-3-yl)propan-2-ol

2-(4-methylthiophen-3-yl)propan-2-ol (PubChem CID 58488176) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-(4-methylthiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methylthiophen-3-yl)propan-2-ol
PubChem CID58488176
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name2-(4-methylthiophen-3-yl)propan-2-ol
SMILESCc1cscc1C(C)(C)O
InChIInChI=1S/C8H12OS/c1-6-4-10-5-7(6)8(2,3)9/h4-5,9H,1-3H3
InChIKeyDAUWVBFIBAWFIY-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-3-yl)propan-2-ol?
The IUPAC name of 2-(4-methylthiophen-3-yl)propan-2-ol (CID 58488176) is 2-(4-methylthiophen-3-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methylthiophen-3-yl)propan-2-ol?
The canonical SMILES for 2-(4-methylthiophen-3-yl)propan-2-ol is Cc1cscc1C(C)(C)O.
What is the InChIKey of 2-(4-methylthiophen-3-yl)propan-2-ol?
The InChIKey is DAUWVBFIBAWFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-6-4-10-5-7(6)8(2,3)9/h4-5,9H,1-3H3.
What are the key properties of 2-(4-methylthiophen-3-yl)propan-2-ol?
2-(4-methylthiophen-3-yl)propan-2-ol has a molecular weight of 156.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-3-yl)propan-2-ol is sourced from PubChem (CID 58488176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).