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

C11H16O2S — CID 80685813

IUPAC(2-methyloxan-2-yl)-thiophen-2-ylmethanol
SMILESCC1(C(O)c2cccs2)CCCCO1
InChIInChI=1S/C11H16O2S/c1-11(6-2-3-7-13-11)10(12)9-5-4-8-14-9/h4-5,8,10,12H,2-3,6-7H2,1H3
InChIKeyRONDTSADXCJKPR-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.74
Rot. Bonds2

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

(2-methyloxan-2-yl)-thiophen-2-ylmethanol (PubChem CID 80685813) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-thiophen-2-ylmethanol
PubChem CID80685813
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name(2-methyloxan-2-yl)-thiophen-2-ylmethanol
SMILESCC1(C(O)c2cccs2)CCCCO1
InChIInChI=1S/C11H16O2S/c1-11(6-2-3-7-13-11)10(12)9-5-4-8-14-9/h4-5,8,10,12H,2-3,6-7H2,1H3
InChIKeyRONDTSADXCJKPR-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

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Related Compounds

1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol
CID 103451819
(2-methyloxan-2-yl)-thiophen-3-ylmethanol
CID 80685803
(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 80685466
(1-morpholin-4-ylcyclopentyl)-thiophen-2-ylmethanol
CID 79060219
[1-(2-methyloxolan-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105250936
1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836256
(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol
CID 80684689
(4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol
CID 102835170
(2,6-difluoro-3-methylphenyl)-(2-methyloxan-2-yl)methanol
CID 82822613
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol
CID 68902963
(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol
CID 116755748
2-[(4R)-4-hydroxy-2,2-dimethyloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7083788

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-thiophen-2-ylmethanol?
The IUPAC name of (2-methyloxan-2-yl)-thiophen-2-ylmethanol (CID 80685813) is (2-methyloxan-2-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (2-methyloxan-2-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (2-methyloxan-2-yl)-thiophen-2-ylmethanol is CC1(C(O)c2cccs2)CCCCO1.
What is the InChIKey of (2-methyloxan-2-yl)-thiophen-2-ylmethanol?
The InChIKey is RONDTSADXCJKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-11(6-2-3-7-13-11)10(12)9-5-4-8-14-9/h4-5,8,10,12H,2-3,6-7H2,1H3.
What are the key properties of (2-methyloxan-2-yl)-thiophen-2-ylmethanol?
(2-methyloxan-2-yl)-thiophen-2-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-2-ylmethanol is sourced from PubChem (CID 80685813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).