2,3-dihydro-1,4-benzodioxin-3-ylmethanol

C9H10O3 — CID 19314

IUPAC2,3-dihydro-1,4-benzodioxin-3-ylmethanol
SMILESOCC1COc2ccccc2O1
InChIInChI=1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2
InChIKeyGWQOQQVKVOOHTI-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.82
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-3-ylmethanol

2,3-dihydro-1,4-benzodioxin-3-ylmethanol (PubChem CID 19314) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-ylmethanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-ylmethanol
PubChem CID19314
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-ylmethanol
SMILESOCC1COc2ccccc2O1
InChIInChI=1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2
InChIKeyGWQOQQVKVOOHTI-UHFFFAOYSA-N
XLogP0.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1,4-benzodioxin-3-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 2,3-dihydro-1,4-benzodioxin-3-ylmethanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-ylmethanol (CID 19314) is 2,3-dihydro-1,4-benzodioxin-3-ylmethanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-ylmethanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-ylmethanol is OCC1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-ylmethanol?
The InChIKey is GWQOQQVKVOOHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-ylmethanol?
2,3-dihydro-1,4-benzodioxin-3-ylmethanol has a molecular weight of 166.18 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-ylmethanol is sourced from PubChem (CID 19314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).