3-phenylbenzo[f][1,2]benzoxazole-4,9-dione

C17H9NO3 — CID 15185268

IUPAC3-phenylbenzo[f][1,2]benzoxazole-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2c(-c3ccccc3)noc21
InChIInChI=1S/C17H9NO3/c19-15-11-8-4-5-9-12(11)16(20)17-13(15)14(18-21-17)10-6-2-1-3-7-10/h1-9H
InChIKeyXYZKXTOGPRXHMA-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.12
Rot. Bonds1

About 3-phenylbenzo[f][1,2]benzoxazole-4,9-dione

3-phenylbenzo[f][1,2]benzoxazole-4,9-dione (PubChem CID 15185268) has the molecular formula C17H9NO3 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-phenylbenzo[f][1,2]benzoxazole-4,9-dione.

Molecular Properties

Compound Name3-phenylbenzo[f][1,2]benzoxazole-4,9-dione
PubChem CID15185268
Molecular FormulaC17H9NO3
Molecular Weight275.26 g/mol
Exact Mass275.06
IUPAC Name3-phenylbenzo[f][1,2]benzoxazole-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2c(-c3ccccc3)noc21
InChIInChI=1S/C17H9NO3/c19-15-11-8-4-5-9-12(11)16(20)17-13(15)14(18-21-17)10-6-2-1-3-7-10/h1-9H
InChIKeyXYZKXTOGPRXHMA-UHFFFAOYSA-N
XLogP3.12
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-phenylbenzo[f][1,2]benzoxazole-4,9-dione?
The IUPAC name of 3-phenylbenzo[f][1,2]benzoxazole-4,9-dione (CID 15185268) is 3-phenylbenzo[f][1,2]benzoxazole-4,9-dione.
What is the SMILES notation for 3-phenylbenzo[f][1,2]benzoxazole-4,9-dione?
The canonical SMILES for 3-phenylbenzo[f][1,2]benzoxazole-4,9-dione is O=C1c2ccccc2C(=O)c2c(-c3ccccc3)noc21.
What is the InChIKey of 3-phenylbenzo[f][1,2]benzoxazole-4,9-dione?
The InChIKey is XYZKXTOGPRXHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9NO3/c19-15-11-8-4-5-9-12(11)16(20)17-13(15)14(18-21-17)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 3-phenylbenzo[f][1,2]benzoxazole-4,9-dione?
3-phenylbenzo[f][1,2]benzoxazole-4,9-dione has a molecular weight of 275.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzo[f][1,2]benzoxazole-4,9-dione is sourced from PubChem (CID 15185268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).