3-phenoxyacenaphthylene-1,2-dione

C18H10O3 — CID 67381616

IUPAC3-phenoxyacenaphthylene-1,2-dione
SMILESO=C1C(=O)c2c(Oc3ccccc3)ccc3cccc1c23
InChIInChI=1S/C18H10O3/c19-17-13-8-4-5-11-9-10-14(16(15(11)13)18(17)20)21-12-6-2-1-3-7-12/h1-10H
InChIKeyUWWAWKIMIUZXSH-UHFFFAOYSA-N
MW274.28 g/mol
LogP4.01
Rot. Bonds2

About 3-phenoxyacenaphthylene-1,2-dione

3-phenoxyacenaphthylene-1,2-dione (PubChem CID 67381616) has the molecular formula C18H10O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-phenoxyacenaphthylene-1,2-dione.

Molecular Properties

Compound Name3-phenoxyacenaphthylene-1,2-dione
PubChem CID67381616
Molecular FormulaC18H10O3
Molecular Weight274.28 g/mol
Exact Mass274.06
IUPAC Name3-phenoxyacenaphthylene-1,2-dione
SMILESO=C1C(=O)c2c(Oc3ccccc3)ccc3cccc1c23
InChIInChI=1S/C18H10O3/c19-17-13-8-4-5-11-9-10-14(16(15(11)13)18(17)20)21-12-6-2-1-3-7-12/h1-10H
InChIKeyUWWAWKIMIUZXSH-UHFFFAOYSA-N
XLogP4.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxyacenaphthylene-1,2-dione?
The IUPAC name of 3-phenoxyacenaphthylene-1,2-dione (CID 67381616) is 3-phenoxyacenaphthylene-1,2-dione.
What is the SMILES notation for 3-phenoxyacenaphthylene-1,2-dione?
The canonical SMILES for 3-phenoxyacenaphthylene-1,2-dione is O=C1C(=O)c2c(Oc3ccccc3)ccc3cccc1c23.
What is the InChIKey of 3-phenoxyacenaphthylene-1,2-dione?
The InChIKey is UWWAWKIMIUZXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O3/c19-17-13-8-4-5-11-9-10-14(16(15(11)13)18(17)20)21-12-6-2-1-3-7-12/h1-10H.
What are the key properties of 3-phenoxyacenaphthylene-1,2-dione?
3-phenoxyacenaphthylene-1,2-dione has a molecular weight of 274.28 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxyacenaphthylene-1,2-dione is sourced from PubChem (CID 67381616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).