2H-anthracene-1,9,10-trione

C14H8O3 — CID 53433123

IUPAC2H-anthracene-1,9,10-trione
SMILESO=C1CC=CC2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-6H,7H2
InChIKeyAIWWFEBAHIXODC-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.89
Rot. Bonds

About 2H-anthracene-1,9,10-trione

2H-anthracene-1,9,10-trione (PubChem CID 53433123) has the molecular formula C14H8O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2H-anthracene-1,9,10-trione.

Molecular Properties

Compound Name2H-anthracene-1,9,10-trione
PubChem CID53433123
Molecular FormulaC14H8O3
Molecular Weight224.22 g/mol
Exact Mass224.05
IUPAC Name2H-anthracene-1,9,10-trione
SMILESO=C1CC=CC2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-6H,7H2
InChIKeyAIWWFEBAHIXODC-UHFFFAOYSA-N
XLogP1.89
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-anthracene-1,9,10-trione?
The IUPAC name of 2H-anthracene-1,9,10-trione (CID 53433123) is 2H-anthracene-1,9,10-trione.
What is the SMILES notation for 2H-anthracene-1,9,10-trione?
The canonical SMILES for 2H-anthracene-1,9,10-trione is O=C1CC=CC2=C1C(=O)c1ccccc1C2=O.
What is the InChIKey of 2H-anthracene-1,9,10-trione?
The InChIKey is AIWWFEBAHIXODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-6H,7H2.
What are the key properties of 2H-anthracene-1,9,10-trione?
2H-anthracene-1,9,10-trione has a molecular weight of 224.22 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-anthracene-1,9,10-trione is sourced from PubChem (CID 53433123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).