2-phenylindene-1,3-dione

C15H10O2 — CID 4760

💊View drug profile → phenindione
IUPAC2-phenylindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1ccccc1
InChIInChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
InChIKeyNFBAXHOPROOJAW-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.85
Rot. Bonds1

About 2-phenylindene-1,3-dione

2-phenylindene-1,3-dione (PubChem CID 4760) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-phenylindene-1,3-dione.

Molecular Properties

Compound Name2-phenylindene-1,3-dione
PubChem CID4760
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name2-phenylindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1ccccc1
InChIInChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
InChIKeyNFBAXHOPROOJAW-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,4-Naphthoquinone
CID 8530
Benzophenone
CID 3102
Menadione
CID 4055
Anthraquinone
CID 6780
Diphacinone
CID 6719
Pindone
CID 6732
Chlorophacinone
CID 19402
Dibenzoylmethane
CID 8433
Fluorenone
CID 10241
Fluindione
CID 68942
Benzil
CID 8651
Clorindione
CID 70846

Frequently Asked Questions

What is the IUPAC name of 2-phenylindene-1,3-dione?
The IUPAC name of 2-phenylindene-1,3-dione (CID 4760) is 2-phenylindene-1,3-dione.
What is the SMILES notation for 2-phenylindene-1,3-dione?
The canonical SMILES for 2-phenylindene-1,3-dione is O=C1c2ccccc2C(=O)C1c1ccccc1.
What is the InChIKey of 2-phenylindene-1,3-dione?
The InChIKey is NFBAXHOPROOJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of 2-phenylindene-1,3-dione?
2-phenylindene-1,3-dione has a molecular weight of 222.24 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylindene-1,3-dione is sourced from PubChem (CID 4760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).