3a,4-dihydro-1,3-benzodioxol-4-ol

C7H8O3 — CID 69459644

IUPAC3a,4-dihydro-1,3-benzodioxol-4-ol
SMILESOC1C=CC=C2OCOC21
InChIInChI=1S/C7H8O3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3,5,7-8H,4H2
InChIKeyRGJGECMNFXZHPS-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.17
Rot. Bonds

About 3a,4-dihydro-1,3-benzodioxol-4-ol

3a,4-dihydro-1,3-benzodioxol-4-ol (PubChem CID 69459644) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3a,4-dihydro-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name3a,4-dihydro-1,3-benzodioxol-4-ol
PubChem CID69459644
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name3a,4-dihydro-1,3-benzodioxol-4-ol
SMILESOC1C=CC=C2OCOC21
InChIInChI=1S/C7H8O3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3,5,7-8H,4H2
InChIKeyRGJGECMNFXZHPS-UHFFFAOYSA-N
XLogP0.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,4-dihydro-1,3-benzodioxol-4-ol?
The IUPAC name of 3a,4-dihydro-1,3-benzodioxol-4-ol (CID 69459644) is 3a,4-dihydro-1,3-benzodioxol-4-ol.
What is the SMILES notation for 3a,4-dihydro-1,3-benzodioxol-4-ol?
The canonical SMILES for 3a,4-dihydro-1,3-benzodioxol-4-ol is OC1C=CC=C2OCOC21.
What is the InChIKey of 3a,4-dihydro-1,3-benzodioxol-4-ol?
The InChIKey is RGJGECMNFXZHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3,5,7-8H,4H2.
What are the key properties of 3a,4-dihydro-1,3-benzodioxol-4-ol?
3a,4-dihydro-1,3-benzodioxol-4-ol has a molecular weight of 140.14 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4-dihydro-1,3-benzodioxol-4-ol is sourced from PubChem (CID 69459644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).