(3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol

C11H16O2S — CID 81157613

IUPAC(3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol
SMILESCc1cc(C)c(C(O)C2CCOC2)s1
InChIInChI=1S/C11H16O2S/c1-7-5-8(2)14-11(7)10(12)9-3-4-13-6-9/h5,9-10,12H,3-4,6H2,1-2H3
InChIKeyRLGTZMLFAKSSNV-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.43
Rot. Bonds2

About (3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol

(3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol (PubChem CID 81157613) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is (3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol
PubChem CID81157613
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name(3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol
SMILESCc1cc(C)c(C(O)C2CCOC2)s1
InChIInChI=1S/C11H16O2S/c1-7-5-8(2)14-11(7)10(12)9-3-4-13-6-9/h5,9-10,12H,3-4,6H2,1-2H3
InChIKeyRLGTZMLFAKSSNV-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol 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

(3,5-dimethylthiophen-2-yl)-piperidin-4-ylmethanol
CID 81156188
(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol
CID 175093118
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylthiophen-2-yl)methanol
CID 81158440
(2-fluoro-5-methylphenyl)-(oxolan-3-yl)methanol
CID 63893222
(3,5-dichlorophenyl)-(oxolan-3-yl)methanol
CID 63899921
oxolan-3-yl(thiadiazol-4-yl)methanol
CID 105097743
(2-methylfuran-3-yl)-(oxolan-3-yl)methanol
CID 104789574
4-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]oxane
CID 65278822
oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
CID 63896019
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol
CID 61277498
oxan-4-yl-(2,4,6-trimethylphenyl)methanol
CID 62905510
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol?
The IUPAC name of (3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol (CID 81157613) is (3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol?
The canonical SMILES for (3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol is Cc1cc(C)c(C(O)C2CCOC2)s1.
What is the InChIKey of (3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol?
The InChIKey is RLGTZMLFAKSSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-7-5-8(2)14-11(7)10(12)9-3-4-13-6-9/h5,9-10,12H,3-4,6H2,1-2H3.
What are the key properties of (3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol?
(3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol has a molecular weight of 212.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylthiophen-2-yl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 81157613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).