4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one

C17H12O3 — CID 10923402

IUPAC4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one
SMILESO=C1OC2C(=C1c1ccccc1)c1ccccc1C2O
InChIInChI=1S/C17H12O3/c18-15-12-9-5-4-8-11(12)14-13(17(19)20-16(14)15)10-6-2-1-3-7-10/h1-9,15-16,18H
InChIKeyXVUDJSSBOFNKBC-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.57
Rot. Bonds1

About 4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one

4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one (PubChem CID 10923402) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one
PubChem CID10923402
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one
SMILESO=C1OC2C(=C1c1ccccc1)c1ccccc1C2O
InChIInChI=1S/C17H12O3/c18-15-12-9-5-4-8-11(12)14-13(17(19)20-16(14)15)10-6-2-1-3-7-10/h1-9,15-16,18H
InChIKeyXVUDJSSBOFNKBC-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one?
The IUPAC name of 4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one (CID 10923402) is 4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one.
What is the SMILES notation for 4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one?
The canonical SMILES for 4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one is O=C1OC2C(=C1c1ccccc1)c1ccccc1C2O.
What is the InChIKey of 4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one?
The InChIKey is XVUDJSSBOFNKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-15-12-9-5-4-8-11(12)14-13(17(19)20-16(14)15)10-6-2-1-3-7-10/h1-9,15-16,18H.
What are the key properties of 4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one?
4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one has a molecular weight of 264.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-3a,4-dihydroindeno[2,1-b]furan-2-one is sourced from PubChem (CID 10923402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).