dibenzofuran-1-ylmethanediol

C13H10O3 — CID 155121478

IUPACdibenzofuran-1-ylmethanediol
SMILESOC(O)c1cccc2oc3ccccc3c12
InChIInChI=1S/C13H10O3/c14-13(15)9-5-3-7-11-12(9)8-4-1-2-6-10(8)16-11/h1-7,13-15H
InChIKeyAVERKCGIXJEAHU-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.57
Rot. Bonds1

About dibenzofuran-1-ylmethanediol

dibenzofuran-1-ylmethanediol (PubChem CID 155121478) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is dibenzofuran-1-ylmethanediol.

Molecular Properties

Compound Namedibenzofuran-1-ylmethanediol
PubChem CID155121478
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Namedibenzofuran-1-ylmethanediol
SMILESOC(O)c1cccc2oc3ccccc3c12
InChIInChI=1S/C13H10O3/c14-13(15)9-5-3-7-11-12(9)8-4-1-2-6-10(8)16-11/h1-7,13-15H
InChIKeyAVERKCGIXJEAHU-UHFFFAOYSA-N
XLogP2.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze dibenzofuran-1-ylmethanediol with MolForge

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

Launch Full Analysis

Related Compounds

ethane;1-propan-2-yldibenzofuran
CID 142343182
2-dibenzofuran-1-yl-2-phenylethanol
CID 174728912
3-dibenzofuran-1-yl-4-oxobutanoic acid
CID 88841885
CID 88536732
CID 88536732
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
1-propan-2-yl-7-triphenylen-2-yldibenzofuran
CID 164787333
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
dibenzofuran-1-ylmethanethiol
CID 163683060
N-methyldibenzofuran-1-amine
CID 135277683
1-tert-butyldibenzofuran
CID 59078665

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-1-ylmethanediol?
The IUPAC name of dibenzofuran-1-ylmethanediol (CID 155121478) is dibenzofuran-1-ylmethanediol.
What is the SMILES notation for dibenzofuran-1-ylmethanediol?
The canonical SMILES for dibenzofuran-1-ylmethanediol is OC(O)c1cccc2oc3ccccc3c12.
What is the InChIKey of dibenzofuran-1-ylmethanediol?
The InChIKey is AVERKCGIXJEAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-13(15)9-5-3-7-11-12(9)8-4-1-2-6-10(8)16-11/h1-7,13-15H.
What are the key properties of dibenzofuran-1-ylmethanediol?
dibenzofuran-1-ylmethanediol has a molecular weight of 214.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-1-ylmethanediol is sourced from PubChem (CID 155121478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).