(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol

C12H14O2S — CID 102842552

IUPAC(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccsc2C)c(C)o1
InChIInChI=1S/C12H14O2S/c1-7-6-11(8(2)14-7)12(13)10-4-5-15-9(10)3/h4-6,12-13H,1-3H3
InChIKeyYHKSNAPMSAEGHS-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.35
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol

(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol (PubChem CID 102842552) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol
PubChem CID102842552
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2ccsc2C)c(C)o1
InChIInChI=1S/C12H14O2S/c1-7-6-11(8(2)14-7)12(13)10-4-5-15-9(10)3/h4-6,12-13H,1-3H3
InChIKeyYHKSNAPMSAEGHS-UHFFFAOYSA-N
XLogP3.35
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842041
(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61270452
1-(2-methylthiophen-3-yl)propane-1,2,3-triol
CID 170817278
(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol
CID 61099322
(2-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838610
(3-methylfuran-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102829434
(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
CID 107103539
(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61081015
(2-methylthiophen-3-yl)-thiophen-3-ylmethanol
CID 102829147
1,3-benzodioxol-5-yl-(2-methylthiophen-3-yl)methanol
CID 102829165
(2,5-dimethylfuran-3-yl)-quinolin-5-ylmethanol
CID 115826245
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61100714

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol (CID 102842552) is (2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol is Cc1cc(C(O)c2ccsc2C)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is YHKSNAPMSAEGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-7-6-11(8(2)14-7)12(13)10-4-5-15-9(10)3/h4-6,12-13H,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol?
(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 222.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102842552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).