thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol

C12H14O2S — CID 65153315

IUPACthiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2cccs2)c1C
InChIInChI=1S/C12H14O2S/c1-7-8(2)14-9(3)11(7)12(13)10-5-4-6-15-10/h4-6,12-13H,1-3H3
InChIKeyPXSNMEHZDNMLAA-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.35
Rot. Bonds2

About thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol

thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 65153315) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Namethiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID65153315
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Namethiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2cccs2)c1C
InChIInChI=1S/C12H14O2S/c1-7-8(2)14-9(3)11(7)12(13)10-5-4-6-15-10/h4-6,12-13H,1-3H3
InChIKeyPXSNMEHZDNMLAA-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

3-[chloro(thiophen-2-yl)methyl]-2,4,5-trimethylfuran
CID 65152525
3-[(R)-hydroxy(thiophen-2-yl)methyl]-2-methyl-1-benzofuran-5,6-dicarbonitrile
CID 95166417
[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol
CID 11197598
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(2-fluoro-3-methylphenyl)-thiophen-2-ylmethanol
CID 81477693
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
1-benzofuran-2-yl(thiophen-2-yl)methanol
CID 63090596
2-propan-2-ylthiophene
CID 178128598
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
CID 686964
(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575
2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 66461098
quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol
CID 115826290

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol (CID 65153315) is thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol is Cc1oc(C)c(C(O)c2cccs2)c1C.
What is the InChIKey of thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is PXSNMEHZDNMLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-7-8(2)14-9(3)11(7)12(13)10-5-4-6-15-10/h4-6,12-13H,1-3H3.
What are the key properties of thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol?
thiophen-2-yl-(2,4,5-trimethylfuran-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 thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 65153315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).