3-butan-2-ylthiophen-2-ol

C8H12OS — CID 155122779

IUPAC3-butan-2-ylthiophen-2-ol
SMILESCCC(C)c1ccsc1O
InChIInChI=1S/C8H12OS/c1-3-6(2)7-4-5-10-8(7)9/h4-6,9H,3H2,1-2H3
InChIKeyUHLUGVBOUIXYEZ-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.97
Rot. Bonds2

About 3-butan-2-ylthiophen-2-ol

3-butan-2-ylthiophen-2-ol (PubChem CID 155122779) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-butan-2-ylthiophen-2-ol.

Molecular Properties

Compound Name3-butan-2-ylthiophen-2-ol
PubChem CID155122779
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name3-butan-2-ylthiophen-2-ol
SMILESCCC(C)c1ccsc1O
InChIInChI=1S/C8H12OS/c1-3-6(2)7-4-5-10-8(7)9/h4-6,9H,3H2,1-2H3
InChIKeyUHLUGVBOUIXYEZ-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylthiophen-2-ol?
The IUPAC name of 3-butan-2-ylthiophen-2-ol (CID 155122779) is 3-butan-2-ylthiophen-2-ol.
What is the SMILES notation for 3-butan-2-ylthiophen-2-ol?
The canonical SMILES for 3-butan-2-ylthiophen-2-ol is CCC(C)c1ccsc1O.
What is the InChIKey of 3-butan-2-ylthiophen-2-ol?
The InChIKey is UHLUGVBOUIXYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-3-6(2)7-4-5-10-8(7)9/h4-6,9H,3H2,1-2H3.
What are the key properties of 3-butan-2-ylthiophen-2-ol?
3-butan-2-ylthiophen-2-ol has a molecular weight of 156.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylthiophen-2-ol is sourced from PubChem (CID 155122779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).