oxolan-2-yl(thiophen-3-yl)methanol

C9H12O2S — CID 65331077

IUPACoxolan-2-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)C1CCCO1
InChIInChI=1S/C9H12O2S/c10-9(7-3-5-12-6-7)8-2-1-4-11-8/h3,5-6,8-10H,1-2,4H2
InChIKeyYYGOCOMUWJNZRE-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.96
Rot. Bonds2

About oxolan-2-yl(thiophen-3-yl)methanol

oxolan-2-yl(thiophen-3-yl)methanol (PubChem CID 65331077) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is oxolan-2-yl(thiophen-3-yl)methanol.

Molecular Properties

Compound Nameoxolan-2-yl(thiophen-3-yl)methanol
PubChem CID65331077
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Nameoxolan-2-yl(thiophen-3-yl)methanol
SMILESOC(c1ccsc1)C1CCCO1
InChIInChI=1S/C9H12O2S/c10-9(7-3-5-12-6-7)8-2-1-4-11-8/h3,5-6,8-10H,1-2,4H2
InChIKeyYYGOCOMUWJNZRE-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl(thiophen-3-yl)methanol?
The IUPAC name of oxolan-2-yl(thiophen-3-yl)methanol (CID 65331077) is oxolan-2-yl(thiophen-3-yl)methanol.
What is the SMILES notation for oxolan-2-yl(thiophen-3-yl)methanol?
The canonical SMILES for oxolan-2-yl(thiophen-3-yl)methanol is OC(c1ccsc1)C1CCCO1.
What is the InChIKey of oxolan-2-yl(thiophen-3-yl)methanol?
The InChIKey is YYGOCOMUWJNZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c10-9(7-3-5-12-6-7)8-2-1-4-11-8/h3,5-6,8-10H,1-2,4H2.
What are the key properties of oxolan-2-yl(thiophen-3-yl)methanol?
oxolan-2-yl(thiophen-3-yl)methanol has a molecular weight of 184.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl(thiophen-3-yl)methanol is sourced from PubChem (CID 65331077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).