dibenzofuran-4,6-dicarboxylic acid

C14H8O5 — CID 3022

IUPACdibenzofuran-4,6-dicarboxylic acid
SMILESO=C(O)c1cccc2c1oc1c(C(=O)O)cccc12
InChIInChI=1S/C14H8O5/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)19-11(7)9/h1-6H,(H,15,16)(H,17,18)
InChIKeyHBBGSNOHAGNQRQ-UHFFFAOYSA-N
MW256.21 g/mol
LogP2.98
Rot. Bonds2

About dibenzofuran-4,6-dicarboxylic acid

dibenzofuran-4,6-dicarboxylic acid (PubChem CID 3022) has the molecular formula C14H8O5 and a molecular weight of 256.21 g/mol. Its IUPAC name is dibenzofuran-4,6-dicarboxylic acid.

Molecular Properties

Compound Namedibenzofuran-4,6-dicarboxylic acid
PubChem CID3022
Molecular FormulaC14H8O5
Molecular Weight256.21 g/mol
Exact Mass256.04
IUPAC Namedibenzofuran-4,6-dicarboxylic acid
SMILESO=C(O)c1cccc2c1oc1c(C(=O)O)cccc12
InChIInChI=1S/C14H8O5/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)19-11(7)9/h1-6H,(H,15,16)(H,17,18)
InChIKeyHBBGSNOHAGNQRQ-UHFFFAOYSA-N
XLogP2.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-4,6-dicarboxylic acid?
The IUPAC name of dibenzofuran-4,6-dicarboxylic acid (CID 3022) is dibenzofuran-4,6-dicarboxylic acid.
What is the SMILES notation for dibenzofuran-4,6-dicarboxylic acid?
The canonical SMILES for dibenzofuran-4,6-dicarboxylic acid is O=C(O)c1cccc2c1oc1c(C(=O)O)cccc12.
What is the InChIKey of dibenzofuran-4,6-dicarboxylic acid?
The InChIKey is HBBGSNOHAGNQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)19-11(7)9/h1-6H,(H,15,16)(H,17,18).
What are the key properties of dibenzofuran-4,6-dicarboxylic acid?
dibenzofuran-4,6-dicarboxylic acid has a molecular weight of 256.21 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-4,6-dicarboxylic acid is sourced from PubChem (CID 3022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).