2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol

C13H12O3 — CID 13157038

IUPAC2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol
SMILESOCC1COc2ccc3ccccc3c2O1
InChIInChI=1S/C13H12O3/c14-7-10-8-15-12-6-5-9-3-1-2-4-11(9)13(12)16-10/h1-6,10,14H,7-8H2
InChIKeyAXDTTXSWSDJBQS-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.97
Rot. Bonds1

About 2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol

2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol (PubChem CID 13157038) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol.

Molecular Properties

Compound Name2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol
PubChem CID13157038
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol
SMILESOCC1COc2ccc3ccccc3c2O1
InChIInChI=1S/C13H12O3/c14-7-10-8-15-12-6-5-9-3-1-2-4-11(9)13(12)16-10/h1-6,10,14H,7-8H2
InChIKeyAXDTTXSWSDJBQS-UHFFFAOYSA-N
XLogP1.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol?
The IUPAC name of 2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol (CID 13157038) is 2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol.
What is the SMILES notation for 2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol?
The canonical SMILES for 2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol is OCC1COc2ccc3ccccc3c2O1.
What is the InChIKey of 2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol?
The InChIKey is AXDTTXSWSDJBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-7-10-8-15-12-6-5-9-3-1-2-4-11(9)13(12)16-10/h1-6,10,14H,7-8H2.
What are the key properties of 2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol?
2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol has a molecular weight of 216.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol is sourced from PubChem (CID 13157038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).