7-ethoxyphenoxazin-3-one

C14H11NO3 — CID 3294

IUPAC7-ethoxyphenoxazin-3-one
SMILESCCOc1ccc2nc3ccc(=O)cc-3oc2c1
InChIInChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3
InChIKeyCRCWUBLTFGOMDD-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.69
Rot. Bonds2

About 7-ethoxyphenoxazin-3-one

7-ethoxyphenoxazin-3-one (PubChem CID 3294) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 7-ethoxyphenoxazin-3-one.

Molecular Properties

Compound Name7-ethoxyphenoxazin-3-one
PubChem CID3294
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name7-ethoxyphenoxazin-3-one
SMILESCCOc1ccc2nc3ccc(=O)cc-3oc2c1
InChIInChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3
InChIKeyCRCWUBLTFGOMDD-UHFFFAOYSA-N
XLogP2.69
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxyphenoxazin-3-one?
The IUPAC name of 7-ethoxyphenoxazin-3-one (CID 3294) is 7-ethoxyphenoxazin-3-one.
What is the SMILES notation for 7-ethoxyphenoxazin-3-one?
The canonical SMILES for 7-ethoxyphenoxazin-3-one is CCOc1ccc2nc3ccc(=O)cc-3oc2c1.
What is the InChIKey of 7-ethoxyphenoxazin-3-one?
The InChIKey is CRCWUBLTFGOMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3.
What are the key properties of 7-ethoxyphenoxazin-3-one?
7-ethoxyphenoxazin-3-one has a molecular weight of 241.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxyphenoxazin-3-one is sourced from PubChem (CID 3294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).