dibenzofuran;hydrate

C12H10O2 — CID 70610865

IUPACdibenzofuran;hydrate
SMILESO.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H8O.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-8H;1H2
InChIKeyVOAMHTSWPMGSLA-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.76
Rot. Bonds

About dibenzofuran;hydrate

dibenzofuran;hydrate (PubChem CID 70610865) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is dibenzofuran;hydrate.

Molecular Properties

Compound Namedibenzofuran;hydrate
PubChem CID70610865
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Namedibenzofuran;hydrate
SMILESO.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H8O.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-8H;1H2
InChIKeyVOAMHTSWPMGSLA-UHFFFAOYSA-N
XLogP2.76
TPSA44.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran;hydrate?
The IUPAC name of dibenzofuran;hydrate (CID 70610865) is dibenzofuran;hydrate.
What is the SMILES notation for dibenzofuran;hydrate?
The canonical SMILES for dibenzofuran;hydrate is O.c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran;hydrate?
The InChIKey is VOAMHTSWPMGSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-8H;1H2.
What are the key properties of dibenzofuran;hydrate?
dibenzofuran;hydrate has a molecular weight of 186.21 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;hydrate is sourced from PubChem (CID 70610865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).