4,5-dihydro-1,3-benzodioxol-5-ylmethanol

C8H10O3 — CID 154555493

IUPAC4,5-dihydro-1,3-benzodioxol-5-ylmethanol
SMILESOCC1C=CC2=C(C1)OCO2
InChIInChI=1S/C8H10O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-2,6,9H,3-5H2
InChIKeyHHOUSAKTOXYENQ-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.77
Rot. Bonds1

About 4,5-dihydro-1,3-benzodioxol-5-ylmethanol

4,5-dihydro-1,3-benzodioxol-5-ylmethanol (PubChem CID 154555493) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4,5-dihydro-1,3-benzodioxol-5-ylmethanol.

Molecular Properties

Compound Name4,5-dihydro-1,3-benzodioxol-5-ylmethanol
PubChem CID154555493
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4,5-dihydro-1,3-benzodioxol-5-ylmethanol
SMILESOCC1C=CC2=C(C1)OCO2
InChIInChI=1S/C8H10O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-2,6,9H,3-5H2
InChIKeyHHOUSAKTOXYENQ-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-dihydro-1,3-benzodioxol-5-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-benzodioxol-5-ylmethanol?
The IUPAC name of 4,5-dihydro-1,3-benzodioxol-5-ylmethanol (CID 154555493) is 4,5-dihydro-1,3-benzodioxol-5-ylmethanol.
What is the SMILES notation for 4,5-dihydro-1,3-benzodioxol-5-ylmethanol?
The canonical SMILES for 4,5-dihydro-1,3-benzodioxol-5-ylmethanol is OCC1C=CC2=C(C1)OCO2.
What is the InChIKey of 4,5-dihydro-1,3-benzodioxol-5-ylmethanol?
The InChIKey is HHOUSAKTOXYENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-2,6,9H,3-5H2.
What are the key properties of 4,5-dihydro-1,3-benzodioxol-5-ylmethanol?
4,5-dihydro-1,3-benzodioxol-5-ylmethanol has a molecular weight of 154.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-benzodioxol-5-ylmethanol is sourced from PubChem (CID 154555493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).