1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol

C12H14O2S — CID 104800835

IUPAC1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCc1ccoc1C(O)CCc1ccsc1
InChIInChI=1S/C12H14O2S/c1-9-4-6-14-12(9)11(13)3-2-10-5-7-15-8-10/h4-8,11,13H,2-3H2,1H3
InChIKeyUDQAOCQWRLMKKD-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.32
Rot. Bonds4

About 1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol

1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 104800835) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID104800835
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Name1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESCc1ccoc1C(O)CCc1ccsc1
InChIInChI=1S/C12H14O2S/c1-9-4-6-14-12(9)11(13)3-2-10-5-7-15-8-10/h4-8,11,13H,2-3H2,1H3
InChIKeyUDQAOCQWRLMKKD-UHFFFAOYSA-N
XLogP3.32
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 106693735
1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 104789822
1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 115798352
1-(3-methylfuran-2-yl)nonan-1-ol
CID 104800699
1-(3-methylfuran-2-yl)-2-phenylethanol
CID 63016431
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800627
1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
CID 65148145
1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017347
4-propyl-1-thiophen-3-ylheptan-3-ol
CID 115798450
1-(3-methylfuran-2-yl)-2-thiophen-3-ylethanone
CID 61054256
1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097893

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol (CID 104800835) is 1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol is Cc1ccoc1C(O)CCc1ccsc1.
What is the InChIKey of 1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is UDQAOCQWRLMKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-9-4-6-14-12(9)11(13)3-2-10-5-7-15-8-10/h4-8,11,13H,2-3H2,1H3.
What are the key properties of 1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol?
1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 222.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 104800835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).