dibenzofuran

C12H8O — CID 568

IUPACdibenzofuran
SMILESc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKeyTXCDCPKCNAJMEE-UHFFFAOYSA-N
MW168.19 g/mol
LogP3.59
Rot. Bonds

About dibenzofuran

dibenzofuran (PubChem CID 568) has the molecular formula C12H8O and a molecular weight of 168.19 g/mol. Its IUPAC name is dibenzofuran.

Molecular Properties

Compound Namedibenzofuran
PubChem CID568
Molecular FormulaC12H8O
Molecular Weight168.19 g/mol
Exact Mass168.06
IUPAC Namedibenzofuran
SMILESc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKeyTXCDCPKCNAJMEE-UHFFFAOYSA-N
XLogP3.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran?
The IUPAC name of dibenzofuran (CID 568) is dibenzofuran.
What is the SMILES notation for dibenzofuran?
The canonical SMILES for dibenzofuran is c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran?
The InChIKey is TXCDCPKCNAJMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H.
What are the key properties of dibenzofuran?
dibenzofuran has a molecular weight of 168.19 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran is sourced from PubChem (CID 568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).