(2-methyloxan-2-yl)-thiophen-3-ylmethanol

C11H16O2S — CID 80685803

IUPAC(2-methyloxan-2-yl)-thiophen-3-ylmethanol
SMILESCC1(C(O)c2ccsc2)CCCCO1
InChIInChI=1S/C11H16O2S/c1-11(5-2-3-6-13-11)10(12)9-4-7-14-8-9/h4,7-8,10,12H,2-3,5-6H2,1H3
InChIKeyGSWWFDSPWBNRAB-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.74
Rot. Bonds2

About (2-methyloxan-2-yl)-thiophen-3-ylmethanol

(2-methyloxan-2-yl)-thiophen-3-ylmethanol (PubChem CID 80685803) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-thiophen-3-ylmethanol
PubChem CID80685803
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name(2-methyloxan-2-yl)-thiophen-3-ylmethanol
SMILESCC1(C(O)c2ccsc2)CCCCO1
InChIInChI=1S/C11H16O2S/c1-11(5-2-3-6-13-11)10(12)9-4-7-14-8-9/h4,7-8,10,12H,2-3,5-6H2,1H3
InChIKeyGSWWFDSPWBNRAB-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-methyloxan-2-yl)-thiophen-3-ylmethanol 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

(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 80685466
(2-methyloxan-2-yl)-thiophen-2-ylmethanol
CID 80685813
(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol
CID 80684689
(2-methylthiolan-2-yl)-thiophen-3-ylmethanol
CID 105102774
(2-methyloxan-2-yl)-quinolin-3-ylmethanol
CID 80684863
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-thiophen-3-ylmethanol
CID 79135088
3-[hydroxy(thiophen-3-yl)methyl]oxane-3-carbonitrile
CID 103715741
(2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol
CID 82822613
(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
CID 115805572
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-thiophen-3-ylmethanol?
The IUPAC name of (2-methyloxan-2-yl)-thiophen-3-ylmethanol (CID 80685803) is (2-methyloxan-2-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (2-methyloxan-2-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (2-methyloxan-2-yl)-thiophen-3-ylmethanol is CC1(C(O)c2ccsc2)CCCCO1.
What is the InChIKey of (2-methyloxan-2-yl)-thiophen-3-ylmethanol?
The InChIKey is GSWWFDSPWBNRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-11(5-2-3-6-13-11)10(12)9-4-7-14-8-9/h4,7-8,10,12H,2-3,5-6H2,1H3.
What are the key properties of (2-methyloxan-2-yl)-thiophen-3-ylmethanol?
(2-methyloxan-2-yl)-thiophen-3-ylmethanol has a molecular weight of 212.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 80685803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).