5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol

C11H8OS2 — CID 46842527

IUPAC5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol
SMILESCC#Cc1ccc(-c2ccc(O)s2)s1
InChIInChI=1S/C11H8OS2/c1-2-3-8-4-5-9(13-8)10-6-7-11(12)14-10/h4-7,12H,1H3
InChIKeyGQEMLJXCTIVEPA-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.55
Rot. Bonds1

About 5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol

5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol (PubChem CID 46842527) has the molecular formula C11H8OS2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol.

Molecular Properties

Compound Name5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol
PubChem CID46842527
Molecular FormulaC11H8OS2
Molecular Weight220.32 g/mol
Exact Mass220.00
IUPAC Name5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol
SMILESCC#Cc1ccc(-c2ccc(O)s2)s1
InChIInChI=1S/C11H8OS2/c1-2-3-8-4-5-9(13-8)10-6-7-11(12)14-10/h4-7,12H,1H3
InChIKeyGQEMLJXCTIVEPA-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol?
The IUPAC name of 5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol (CID 46842527) is 5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol.
What is the SMILES notation for 5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol?
The canonical SMILES for 5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol is CC#Cc1ccc(-c2ccc(O)s2)s1.
What is the InChIKey of 5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol?
The InChIKey is GQEMLJXCTIVEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OS2/c1-2-3-8-4-5-9(13-8)10-6-7-11(12)14-10/h4-7,12H,1H3.
What are the key properties of 5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol?
5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol has a molecular weight of 220.32 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol is sourced from PubChem (CID 46842527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).