dibenzo-p-dioxin-2-ylmethanol

C13H10O3 — CID 86276590

IUPACdibenzo-p-dioxin-2-ylmethanol
SMILESOCc1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C13H10O3/c14-8-9-5-6-12-13(7-9)16-11-4-2-1-3-10(11)15-12/h1-7,14H,8H2
InChIKeyXNBMSPPLEHGBPK-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.08
Rot. Bonds1

About dibenzo-p-dioxin-2-ylmethanol

dibenzo-p-dioxin-2-ylmethanol (PubChem CID 86276590) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is dibenzo-p-dioxin-2-ylmethanol.

Molecular Properties

Compound Namedibenzo-p-dioxin-2-ylmethanol
PubChem CID86276590
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Namedibenzo-p-dioxin-2-ylmethanol
SMILESOCc1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C13H10O3/c14-8-9-5-6-12-13(7-9)16-11-4-2-1-3-10(11)15-12/h1-7,14H,8H2
InChIKeyXNBMSPPLEHGBPK-UHFFFAOYSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze dibenzo-p-dioxin-2-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 dibenzo-p-dioxin-2-ylmethanol?
The IUPAC name of dibenzo-p-dioxin-2-ylmethanol (CID 86276590) is dibenzo-p-dioxin-2-ylmethanol.
What is the SMILES notation for dibenzo-p-dioxin-2-ylmethanol?
The canonical SMILES for dibenzo-p-dioxin-2-ylmethanol is OCc1ccc2c(c1)Oc1ccccc1O2.
What is the InChIKey of dibenzo-p-dioxin-2-ylmethanol?
The InChIKey is XNBMSPPLEHGBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-8-9-5-6-12-13(7-9)16-11-4-2-1-3-10(11)15-12/h1-7,14H,8H2.
What are the key properties of dibenzo-p-dioxin-2-ylmethanol?
dibenzo-p-dioxin-2-ylmethanol has a molecular weight of 214.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzo-p-dioxin-2-ylmethanol is sourced from PubChem (CID 86276590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).