2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol

C7H8O3S — CID 7537657

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol
SMILESOCc1scc2c1OCCO2
InChIInChI=1S/C7H8O3S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h4,8H,1-3H2
InChIKeyLRWVQOFWMRDMHM-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.01
Rot. Bonds1

About 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol (PubChem CID 7537657) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol
PubChem CID7537657
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol
SMILESOCc1scc2c1OCCO2
InChIInChI=1S/C7H8O3S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h4,8H,1-3H2
InChIKeyLRWVQOFWMRDMHM-UHFFFAOYSA-N
XLogP1.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
5-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 23553881
5-Ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 68087843
3-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,2,4,4-tetramethylpentan-3-ol
CID 10779438
5-(2,3,5,7-Tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 11652122
(3,4-Dimethoxythiophen-2-yl)methanol
CID 20360507
[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3-(hydroxymethyl)-5,7-dihydro-2H-thieno[3,4-b][1,4]dioxin-3-yl]methanol
CID 21966840
5-Ethenyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 57809460
5-[(5R)-2,3,5,7-tetrahydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 58697339
(5,7-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl)methanol
CID 58766157
3-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)propane-1,2-diolate
CID 59699495
3-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)propane-1,2-diol
CID 59699496

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol (CID 7537657) is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol is OCc1scc2c1OCCO2.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol?
The InChIKey is LRWVQOFWMRDMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h4,8H,1-3H2.
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol?
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol has a molecular weight of 172.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethanol is sourced from PubChem (CID 7537657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).