4-(2-methylthiophen-3-yl)oxan-4-ol

C10H14O2S — CID 102829109

IUPAC4-(2-methylthiophen-3-yl)oxan-4-ol
SMILESCc1sccc1C1(O)CCOCC1
InChIInChI=1S/C10H14O2S/c1-8-9(2-7-13-8)10(11)3-5-12-6-4-10/h2,7,11H,3-6H2,1H3
InChIKeyUYUVZOGIPJYZRO-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.05
Rot. Bonds1

About 4-(2-methylthiophen-3-yl)oxan-4-ol

4-(2-methylthiophen-3-yl)oxan-4-ol (PubChem CID 102829109) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(2-methylthiophen-3-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(2-methylthiophen-3-yl)oxan-4-ol
PubChem CID102829109
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name4-(2-methylthiophen-3-yl)oxan-4-ol
SMILESCc1sccc1C1(O)CCOCC1
InChIInChI=1S/C10H14O2S/c1-8-9(2-7-13-8)10(11)3-5-12-6-4-10/h2,7,11H,3-6H2,1H3
InChIKeyUYUVZOGIPJYZRO-UHFFFAOYSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 102829288
3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol
CID 102829342
5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol
CID 102829319
4-(4-bromo-2-methylphenyl)oxan-4-ol
CID 171367092
4-(2-amino-5-methylphenyl)oxan-4-ol
CID 117104406
4-(2-chlorophenyl)oxan-4-ol
CID 63220219
4-(2-fluorophenyl)oxan-4-ol
CID 63220717
2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol
CID 130855323
(2-methylthiophen-3-yl)-(4-phenyloxan-4-yl)methanone
CID 102830738
1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol
CID 102829369
4-(4-fluoro-2-hydroxyphenyl)oxan-4-ol
CID 117104442
4-(2,5-dichlorophenyl)oxan-4-ol
CID 63220164

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylthiophen-3-yl)oxan-4-ol?
The IUPAC name of 4-(2-methylthiophen-3-yl)oxan-4-ol (CID 102829109) is 4-(2-methylthiophen-3-yl)oxan-4-ol.
What is the SMILES notation for 4-(2-methylthiophen-3-yl)oxan-4-ol?
The canonical SMILES for 4-(2-methylthiophen-3-yl)oxan-4-ol is Cc1sccc1C1(O)CCOCC1.
What is the InChIKey of 4-(2-methylthiophen-3-yl)oxan-4-ol?
The InChIKey is UYUVZOGIPJYZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8-9(2-7-13-8)10(11)3-5-12-6-4-10/h2,7,11H,3-6H2,1H3.
What are the key properties of 4-(2-methylthiophen-3-yl)oxan-4-ol?
4-(2-methylthiophen-3-yl)oxan-4-ol has a molecular weight of 198.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylthiophen-3-yl)oxan-4-ol is sourced from PubChem (CID 102829109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).