3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol

C12H14O2S — CID 62140665

IUPAC3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(COC2CCC2)c1
InChIInChI=1S/C12H14O2S/c13-6-2-3-10-7-12(15-9-10)8-14-11-4-1-5-11/h7,9,11,13H,1,4-6,8H2
InChIKeySZFZLFXQPMMLGP-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.16
Rot. Bonds3

About 3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol

3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 62140665) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol
PubChem CID62140665
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1csc(COC2CCC2)c1
InChIInChI=1S/C12H14O2S/c13-6-2-3-10-7-12(15-9-10)8-14-11-4-1-5-11/h7,9,11,13H,1,4-6,8H2
InChIKeySZFZLFXQPMMLGP-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.16
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 3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol (CID 62140665) is 3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol is OCC#Cc1csc(COC2CCC2)c1.
What is the InChIKey of 3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is SZFZLFXQPMMLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c13-6-2-3-10-7-12(15-9-10)8-14-11-4-1-5-11/h7,9,11,13H,1,4-6,8H2.
What are the key properties of 3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol?
3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 222.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 62140665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).