[5-(2-phenylethynyl)thiophen-2-yl]methanol

C13H10OS — CID 2822242

IUPAC[5-(2-phenylethynyl)thiophen-2-yl]methanol
SMILESOCc1ccc(C#Cc2ccccc2)s1
InChIInChI=1S/C13H10OS/c14-10-13-9-8-12(15-13)7-6-11-4-2-1-3-5-11/h1-5,8-9,14H,10H2
InChIKeyCHABLRKWLJTUAQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.64
Rot. Bonds1

About [5-(2-phenylethynyl)thiophen-2-yl]methanol

[5-(2-phenylethynyl)thiophen-2-yl]methanol (PubChem CID 2822242) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is [5-(2-phenylethynyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-phenylethynyl)thiophen-2-yl]methanol
PubChem CID2822242
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name[5-(2-phenylethynyl)thiophen-2-yl]methanol
SMILESOCc1ccc(C#Cc2ccccc2)s1
InChIInChI=1S/C13H10OS/c14-10-13-9-8-12(15-13)7-6-11-4-2-1-3-5-11/h1-5,8-9,14H,10H2
InChIKeyCHABLRKWLJTUAQ-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.64
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-(2-phenylethynyl)thiophen-2-yl]methanol?
The IUPAC name of [5-(2-phenylethynyl)thiophen-2-yl]methanol (CID 2822242) is [5-(2-phenylethynyl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-(2-phenylethynyl)thiophen-2-yl]methanol?
The canonical SMILES for [5-(2-phenylethynyl)thiophen-2-yl]methanol is OCc1ccc(C#Cc2ccccc2)s1.
What is the InChIKey of [5-(2-phenylethynyl)thiophen-2-yl]methanol?
The InChIKey is CHABLRKWLJTUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c14-10-13-9-8-12(15-13)7-6-11-4-2-1-3-5-11/h1-5,8-9,14H,10H2.
What are the key properties of [5-(2-phenylethynyl)thiophen-2-yl]methanol?
[5-(2-phenylethynyl)thiophen-2-yl]methanol has a molecular weight of 214.29 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-phenylethynyl)thiophen-2-yl]methanol is sourced from PubChem (CID 2822242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).