(5-but-3-en-1-ynylthiophen-2-yl)methanol

C9H8OS — CID 134812255

IUPAC(5-but-3-en-1-ynylthiophen-2-yl)methanol
SMILESC=CC#Cc1ccc(CO)s1
InChIInChI=1S/C9H8OS/c1-2-3-4-8-5-6-9(7-10)11-8/h2,5-6,10H,1,7H2
InChIKeyFYRZGWSQPVKQIN-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.78
Rot. Bonds1

About (5-but-3-en-1-ynylthiophen-2-yl)methanol

(5-but-3-en-1-ynylthiophen-2-yl)methanol (PubChem CID 134812255) has the molecular formula C9H8OS and a molecular weight of 164.23 g/mol. Its IUPAC name is (5-but-3-en-1-ynylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-but-3-en-1-ynylthiophen-2-yl)methanol
PubChem CID134812255
Molecular FormulaC9H8OS
Molecular Weight164.23 g/mol
Exact Mass164.03
IUPAC Name(5-but-3-en-1-ynylthiophen-2-yl)methanol
SMILESC=CC#Cc1ccc(CO)s1
InChIInChI=1S/C9H8OS/c1-2-3-4-8-5-6-9(7-10)11-8/h2,5-6,10H,1,7H2
InChIKeyFYRZGWSQPVKQIN-UHFFFAOYSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-but-3-en-1-ynylthiophen-2-yl)methanol?
The IUPAC name of (5-but-3-en-1-ynylthiophen-2-yl)methanol (CID 134812255) is (5-but-3-en-1-ynylthiophen-2-yl)methanol.
What is the SMILES notation for (5-but-3-en-1-ynylthiophen-2-yl)methanol?
The canonical SMILES for (5-but-3-en-1-ynylthiophen-2-yl)methanol is C=CC#Cc1ccc(CO)s1.
What is the InChIKey of (5-but-3-en-1-ynylthiophen-2-yl)methanol?
The InChIKey is FYRZGWSQPVKQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS/c1-2-3-4-8-5-6-9(7-10)11-8/h2,5-6,10H,1,7H2.
What are the key properties of (5-but-3-en-1-ynylthiophen-2-yl)methanol?
(5-but-3-en-1-ynylthiophen-2-yl)methanol has a molecular weight of 164.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-but-3-en-1-ynylthiophen-2-yl)methanol is sourced from PubChem (CID 134812255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).