1-(2-methylthiophen-3-yl)propan-2-ol

C8H12OS — CID 67625732

IUPAC1-(2-methylthiophen-3-yl)propan-2-ol
SMILESCc1sccc1CC(C)O
InChIInChI=1S/C8H12OS/c1-6(9)5-8-3-4-10-7(8)2/h3-4,6,9H,5H2,1-2H3
InChIKeyLWKREYRNKZAJCV-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.98
Rot. Bonds2

About 1-(2-methylthiophen-3-yl)propan-2-ol

1-(2-methylthiophen-3-yl)propan-2-ol (PubChem CID 67625732) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)propan-2-ol
PubChem CID67625732
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name1-(2-methylthiophen-3-yl)propan-2-ol
SMILESCc1sccc1CC(C)O
InChIInChI=1S/C8H12OS/c1-6(9)5-8-3-4-10-7(8)2/h3-4,6,9H,5H2,1-2H3
InChIKeyLWKREYRNKZAJCV-UHFFFAOYSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)propan-2-ol?
The IUPAC name of 1-(2-methylthiophen-3-yl)propan-2-ol (CID 67625732) is 1-(2-methylthiophen-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)propan-2-ol?
The canonical SMILES for 1-(2-methylthiophen-3-yl)propan-2-ol is Cc1sccc1CC(C)O.
What is the InChIKey of 1-(2-methylthiophen-3-yl)propan-2-ol?
The InChIKey is LWKREYRNKZAJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-6(9)5-8-3-4-10-7(8)2/h3-4,6,9H,5H2,1-2H3.
What are the key properties of 1-(2-methylthiophen-3-yl)propan-2-ol?
1-(2-methylthiophen-3-yl)propan-2-ol has a molecular weight of 156.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)propan-2-ol is sourced from PubChem (CID 67625732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).