3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol

C9H10O3S — CID 169454445

IUPAC3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol
SMILESOCC=Cc1scc2c1OCCO2
InChIInChI=1S/C9H10O3S/c10-3-1-2-8-9-7(6-13-8)11-4-5-12-9/h1-2,6,10H,3-5H2
InChIKeyISAIFMQPDXXNGU-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.52
Rot. Bonds2

About 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol

3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol (PubChem CID 169454445) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol
PubChem CID169454445
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol
SMILESOCC=Cc1scc2c1OCCO2
InChIInChI=1S/C9H10O3S/c10-3-1-2-8-9-7(6-13-8)11-4-5-12-9/h1-2,6,10H,3-5H2
InChIKeyISAIFMQPDXXNGU-UHFFFAOYSA-N
XLogP1.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 118281565
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-enoic acid
CID 169461177
5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 58862939
(Z)-2-[4-[(Z)-1-cyano-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]phenyl]-3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-enenitrile
CID 102018707
tris(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phosphane
CID 86053872
5-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
2-chloro-1-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroethanone
CID 170999784
N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 11036713
6-bromo-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
CID 96596041
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2-difluoroacetic acid
CID 165490427
6,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 171060555
ethane;5-phenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 143921758

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol?
The IUPAC name of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol (CID 169454445) is 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol is OCC=Cc1scc2c1OCCO2.
What is the InChIKey of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol?
The InChIKey is ISAIFMQPDXXNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c10-3-1-2-8-9-7(6-13-8)11-4-5-12-9/h1-2,6,10H,3-5H2.
What are the key properties of 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol?
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol has a molecular weight of 198.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 169454445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).