1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol

C12H18O2S — CID 115798359

IUPAC1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCC1CC(C(O)CCc2ccsc2)CO1
InChIInChI=1S/C12H18O2S/c1-9-6-11(7-14-9)12(13)3-2-10-4-5-15-8-10/h4-5,8-9,11-13H,2-3,6-7H2,1H3
InChIKeyYGWXYQANENJYJK-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.47
Rot. Bonds4

About 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol

1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 115798359) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID115798359
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCC1CC(C(O)CCc2ccsc2)CO1
InChIInChI=1S/C12H18O2S/c1-9-6-11(7-14-9)12(13)3-2-10-4-5-15-8-10/h4-5,8-9,11-13H,2-3,6-7H2,1H3
InChIKeyYGWXYQANENJYJK-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
1-(1,4-dioxan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65351236
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-one
CID 114972104
(5-methyloxolan-3-yl)-thiophen-3-ylmethanamine
CID 104988595
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65331589
1-(2-phenylcyclopropyl)-3-thiophen-3-ylpropan-1-ol
CID 115798373
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 79087408
1-(3-ethyl-1,4-dithian-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 113299434
1-(5-methyloxolan-3-yl)nonan-1-ol
CID 115783996
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 65410166
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115856877
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol (CID 115798359) is 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol is CC1CC(C(O)CCc2ccsc2)CO1.
What is the InChIKey of 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is YGWXYQANENJYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-9-6-11(7-14-9)12(13)3-2-10-4-5-15-8-10/h4-5,8-9,11-13H,2-3,6-7H2,1H3.
What are the key properties of 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol?
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 115798359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).