2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one

C12H12O2 — CID 10130290

IUPAC2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one
SMILESO=C1CCCC2c3ccccc3OC12
InChIInChI=1S/C12H12O2/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4,7,9,12H,3,5-6H2
InChIKeyLVGZUOKSBUMAHV-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.28
Rot. Bonds

About 2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one

2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one (PubChem CID 10130290) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one.

Molecular Properties

Compound Name2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one
PubChem CID10130290
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one
SMILESO=C1CCCC2c3ccccc3OC12
InChIInChI=1S/C12H12O2/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4,7,9,12H,3,5-6H2
InChIKeyLVGZUOKSBUMAHV-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one?
The IUPAC name of 2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one (CID 10130290) is 2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one.
What is the SMILES notation for 2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one?
The canonical SMILES for 2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one is O=C1CCCC2c3ccccc3OC12.
What is the InChIKey of 2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one?
The InChIKey is LVGZUOKSBUMAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4,7,9,12H,3,5-6H2.
What are the key properties of 2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one?
2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one has a molecular weight of 188.23 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-one is sourced from PubChem (CID 10130290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).