(2R)-2-thiophen-3-ylbut-3-en-1-ol

C8H10OS — CID 134968085

IUPAC(2R)-2-thiophen-3-ylbut-3-en-1-ol
SMILESC=C[C@@H](CO)c1ccsc1
InChIInChI=1S/C8H10OS/c1-2-7(5-9)8-3-4-10-6-8/h2-4,6-7,9H,1,5H2/t7-/m0/s1
InChIKeyUENOJPNFJZTTEE-ZETCQYMHSA-N
MW154.23 g/mol
LogP2.01
Rot. Bonds3

About (2R)-2-thiophen-3-ylbut-3-en-1-ol

(2R)-2-thiophen-3-ylbut-3-en-1-ol (PubChem CID 134968085) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is (2R)-2-thiophen-3-ylbut-3-en-1-ol.

Molecular Properties

Compound Name(2R)-2-thiophen-3-ylbut-3-en-1-ol
PubChem CID134968085
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name(2R)-2-thiophen-3-ylbut-3-en-1-ol
SMILESC=C[C@@H](CO)c1ccsc1
InChIInChI=1S/C8H10OS/c1-2-7(5-9)8-3-4-10-6-8/h2-4,6-7,9H,1,5H2/t7-/m0/s1
InChIKeyUENOJPNFJZTTEE-ZETCQYMHSA-N
XLogP2.01
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 ≤ 52.01
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 (2R)-2-thiophen-3-ylbut-3-en-1-ol?
The IUPAC name of (2R)-2-thiophen-3-ylbut-3-en-1-ol (CID 134968085) is (2R)-2-thiophen-3-ylbut-3-en-1-ol.
What is the SMILES notation for (2R)-2-thiophen-3-ylbut-3-en-1-ol?
The canonical SMILES for (2R)-2-thiophen-3-ylbut-3-en-1-ol is C=C[C@@H](CO)c1ccsc1.
What is the InChIKey of (2R)-2-thiophen-3-ylbut-3-en-1-ol?
The InChIKey is UENOJPNFJZTTEE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10OS/c1-2-7(5-9)8-3-4-10-6-8/h2-4,6-7,9H,1,5H2/t7-/m0/s1.
What are the key properties of (2R)-2-thiophen-3-ylbut-3-en-1-ol?
(2R)-2-thiophen-3-ylbut-3-en-1-ol has a molecular weight of 154.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-thiophen-3-ylbut-3-en-1-ol is sourced from PubChem (CID 134968085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).