1-thiophen-2-ylbut-3-en-1-ol

C8H10OS — CID 10725573

IUPAC1-thiophen-2-ylbut-3-en-1-ol
SMILESC=CCC(O)c1cccs1
InChIInChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h2-3,5-7,9H,1,4H2
InChIKeyKRBDYAKQPULVNR-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.36
Rot. Bonds3

About 1-thiophen-2-ylbut-3-en-1-ol

1-thiophen-2-ylbut-3-en-1-ol (PubChem CID 10725573) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-thiophen-2-ylbut-3-en-1-ol.

Molecular Properties

Compound Name1-thiophen-2-ylbut-3-en-1-ol
PubChem CID10725573
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name1-thiophen-2-ylbut-3-en-1-ol
SMILESC=CCC(O)c1cccs1
InChIInChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h2-3,5-7,9H,1,4H2
InChIKeyKRBDYAKQPULVNR-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylbut-3-en-1-ol?
The IUPAC name of 1-thiophen-2-ylbut-3-en-1-ol (CID 10725573) is 1-thiophen-2-ylbut-3-en-1-ol.
What is the SMILES notation for 1-thiophen-2-ylbut-3-en-1-ol?
The canonical SMILES for 1-thiophen-2-ylbut-3-en-1-ol is C=CCC(O)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylbut-3-en-1-ol?
The InChIKey is KRBDYAKQPULVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h2-3,5-7,9H,1,4H2.
What are the key properties of 1-thiophen-2-ylbut-3-en-1-ol?
1-thiophen-2-ylbut-3-en-1-ol has a molecular weight of 154.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylbut-3-en-1-ol is sourced from PubChem (CID 10725573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).