3-(1,3-benzodioxol-5-yl)oxetan-3-ol

C10H10O4 — CID 75406892

IUPAC3-(1,3-benzodioxol-5-yl)oxetan-3-ol
SMILESOC1(c2ccc3c(c2)OCO3)COC1
InChIInChI=1S/C10H10O4/c11-10(4-12-5-10)7-1-2-8-9(3-7)14-6-13-8/h1-3,11H,4-6H2
InChIKeyMRNAXDURSOMYRD-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.63
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)oxetan-3-ol

3-(1,3-benzodioxol-5-yl)oxetan-3-ol (PubChem CID 75406892) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)oxetan-3-ol.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)oxetan-3-ol
PubChem CID75406892
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name3-(1,3-benzodioxol-5-yl)oxetan-3-ol
SMILESOC1(c2ccc3c(c2)OCO3)COC1
InChIInChI=1S/C10H10O4/c11-10(4-12-5-10)7-1-2-8-9(3-7)14-6-13-8/h1-3,11H,4-6H2
InChIKeyMRNAXDURSOMYRD-UHFFFAOYSA-N
XLogP0.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5S)-3-(1,3-benzodioxol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113270
3-(1,3-benzodioxol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171960077
4-(1,3-benzodioxol-5-yl)oxane-4-carbonyl chloride
CID 172994841
1-(1,3-benzodioxol-5-yl)cyclohex-2-en-1-ol
CID 10398467
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842630
2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine
CID 65007449
4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonylpiperidin-4-ol
CID 652940
(3R,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-1,4,6,6a-tetrahydrofuro[3,4-c]furan-3,3a-diol
CID 162910976
1-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000121
4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine
CID 83822990
4-(1,3-benzodioxol-5-yl)-1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-ol
CID 51501356

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)oxetan-3-ol?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)oxetan-3-ol (CID 75406892) is 3-(1,3-benzodioxol-5-yl)oxetan-3-ol.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)oxetan-3-ol?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)oxetan-3-ol is OC1(c2ccc3c(c2)OCO3)COC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)oxetan-3-ol?
The InChIKey is MRNAXDURSOMYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-10(4-12-5-10)7-1-2-8-9(3-7)14-6-13-8/h1-3,11H,4-6H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)oxetan-3-ol?
3-(1,3-benzodioxol-5-yl)oxetan-3-ol has a molecular weight of 194.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)oxetan-3-ol is sourced from PubChem (CID 75406892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).