dibenzofuran-3-carboxylate

C13H7O3- — CID 51860493

IUPACdibenzofuran-3-carboxylate
SMILESO=C([O-])c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C13H8O3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H,(H,14,15)/p-1
InChIKeyIPAZMLAVBPDMLK-UHFFFAOYSA-M
MW211.20 g/mol
LogP1.95
Rot. Bonds1

About dibenzofuran-3-carboxylate

dibenzofuran-3-carboxylate (PubChem CID 51860493) has the molecular formula C13H7O3- and a molecular weight of 211.20 g/mol. Its IUPAC name is dibenzofuran-3-carboxylate.

Molecular Properties

Compound Namedibenzofuran-3-carboxylate
PubChem CID51860493
Molecular FormulaC13H7O3-
Molecular Weight211.20 g/mol
Exact Mass211.04
IUPAC Namedibenzofuran-3-carboxylate
SMILESO=C([O-])c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C13H8O3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H,(H,14,15)/p-1
InChIKeyIPAZMLAVBPDMLK-UHFFFAOYSA-M
XLogP1.95
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(diaminomethylidene)dibenzofuran-3-carboxamide
CID 72734862
2-(dibenzofuran-3-carbonylamino)acetic acid
CID 169199306
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
carbon dioxide;9-oxoxanthene-3-carboxylic acid
CID 158563906
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine
CID 170789515
6-oxobenzo[c]chromene-3-carboxylic acid
CID 20530939
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
methyl dibenzofuran-2-carboxylate
CID 3702628
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-3-carboxylate?
The IUPAC name of dibenzofuran-3-carboxylate (CID 51860493) is dibenzofuran-3-carboxylate.
What is the SMILES notation for dibenzofuran-3-carboxylate?
The canonical SMILES for dibenzofuran-3-carboxylate is O=C([O-])c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran-3-carboxylate?
The InChIKey is IPAZMLAVBPDMLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8O3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H,(H,14,15)/p-1.
What are the key properties of dibenzofuran-3-carboxylate?
dibenzofuran-3-carboxylate has a molecular weight of 211.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-3-carboxylate is sourced from PubChem (CID 51860493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).