2-phenylanthracene-1,4-dione

C20H12O2 — CID 165358923

IUPAC2-phenylanthracene-1,4-dione
SMILESO=C1C=C(c2ccccc2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C20H12O2/c21-19-12-16(13-6-2-1-3-7-13)20(22)18-11-15-9-5-4-8-14(15)10-17(18)19/h1-12H
InChIKeyZTKLUKSCTOBQES-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.30
Rot. Bonds1

About 2-phenylanthracene-1,4-dione

2-phenylanthracene-1,4-dione (PubChem CID 165358923) has the molecular formula C20H12O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-phenylanthracene-1,4-dione.

Molecular Properties

Compound Name2-phenylanthracene-1,4-dione
PubChem CID165358923
Molecular FormulaC20H12O2
Molecular Weight284.31 g/mol
Exact Mass284.08
IUPAC Name2-phenylanthracene-1,4-dione
SMILESO=C1C=C(c2ccccc2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C20H12O2/c21-19-12-16(13-6-2-1-3-7-13)20(22)18-11-15-9-5-4-8-14(15)10-17(18)19/h1-12H
InChIKeyZTKLUKSCTOBQES-UHFFFAOYSA-N
XLogP4.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylanthracene-1,4-dione?
The IUPAC name of 2-phenylanthracene-1,4-dione (CID 165358923) is 2-phenylanthracene-1,4-dione.
What is the SMILES notation for 2-phenylanthracene-1,4-dione?
The canonical SMILES for 2-phenylanthracene-1,4-dione is O=C1C=C(c2ccccc2)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2-phenylanthracene-1,4-dione?
The InChIKey is ZTKLUKSCTOBQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O2/c21-19-12-16(13-6-2-1-3-7-13)20(22)18-11-15-9-5-4-8-14(15)10-17(18)19/h1-12H.
What are the key properties of 2-phenylanthracene-1,4-dione?
2-phenylanthracene-1,4-dione has a molecular weight of 284.31 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylanthracene-1,4-dione is sourced from PubChem (CID 165358923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).