2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol

C11H16O2S — CID 65149523

IUPAC2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
SMILESCC1CC(O)(Cc2cccs2)CCO1
InChIInChI=1S/C11H16O2S/c1-9-7-11(12,4-5-13-9)8-10-3-2-6-14-10/h2-3,6,9,12H,4-5,7-8H2,1H3
InChIKeyAPUCOVCWHGOIDN-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.22
Rot. Bonds2

About 2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol

2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol (PubChem CID 65149523) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
PubChem CID65149523
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
SMILESCC1CC(O)(Cc2cccs2)CCO1
InChIInChI=1S/C11H16O2S/c1-9-7-11(12,4-5-13-9)8-10-3-2-6-14-10/h2-3,6,9,12H,4-5,7-8H2,1H3
InChIKeyAPUCOVCWHGOIDN-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-2-methyl-3-(thiophen-2-ylmethyl)oxolane
CID 114536032
4-[(5-bromo-2-pyridinyl)methyl]-2-methyloxan-4-ol
CID 104802016
2,2-dimethyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149211
4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol
CID 165491706
4-[(2-bromo-4-fluorophenyl)methyl]-2-methyloxan-4-ol
CID 65149577
2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol
CID 79754404
2-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]oxan-4-ol
CID 65148770
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 65154121
2-propyl-1-(thiophen-2-ylmethyl)cyclopropan-1-ol
CID 79332130
3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
CID 65153793
2-methyl-4-thiophen-3-yloxan-4-ol
CID 18996129
3-(bromomethyl)-2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolane
CID 104510783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol?
The IUPAC name of 2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol (CID 65149523) is 2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol.
What is the SMILES notation for 2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol?
The canonical SMILES for 2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol is CC1CC(O)(Cc2cccs2)CCO1.
What is the InChIKey of 2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol?
The InChIKey is APUCOVCWHGOIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-9-7-11(12,4-5-13-9)8-10-3-2-6-14-10/h2-3,6,9,12H,4-5,7-8H2,1H3.
What are the key properties of 2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol?
2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol has a molecular weight of 212.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol is sourced from PubChem (CID 65149523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).