7-(2-methoxyethoxy)phenoxazin-3-one

C15H13NO4 — CID 56655747

IUPAC7-(2-methoxyethoxy)phenoxazin-3-one
SMILESCOCCOc1ccc2nc3ccc(=O)cc-3oc2c1
InChIInChI=1S/C15H13NO4/c1-18-6-7-19-11-3-5-13-15(9-11)20-14-8-10(17)2-4-12(14)16-13/h2-5,8-9H,6-7H2,1H3
InChIKeyWIDXMQJOBHHXHT-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.32
Rot. Bonds4

About 7-(2-methoxyethoxy)phenoxazin-3-one

7-(2-methoxyethoxy)phenoxazin-3-one (PubChem CID 56655747) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 7-(2-methoxyethoxy)phenoxazin-3-one.

Molecular Properties

Compound Name7-(2-methoxyethoxy)phenoxazin-3-one
PubChem CID56655747
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name7-(2-methoxyethoxy)phenoxazin-3-one
SMILESCOCCOc1ccc2nc3ccc(=O)cc-3oc2c1
InChIInChI=1S/C15H13NO4/c1-18-6-7-19-11-3-5-13-15(9-11)20-14-8-10(17)2-4-12(14)16-13/h2-5,8-9H,6-7H2,1H3
InChIKeyWIDXMQJOBHHXHT-UHFFFAOYSA-N
XLogP2.32
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethoxy)phenoxazin-3-one?
The IUPAC name of 7-(2-methoxyethoxy)phenoxazin-3-one (CID 56655747) is 7-(2-methoxyethoxy)phenoxazin-3-one.
What is the SMILES notation for 7-(2-methoxyethoxy)phenoxazin-3-one?
The canonical SMILES for 7-(2-methoxyethoxy)phenoxazin-3-one is COCCOc1ccc2nc3ccc(=O)cc-3oc2c1.
What is the InChIKey of 7-(2-methoxyethoxy)phenoxazin-3-one?
The InChIKey is WIDXMQJOBHHXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-18-6-7-19-11-3-5-13-15(9-11)20-14-8-10(17)2-4-12(14)16-13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 7-(2-methoxyethoxy)phenoxazin-3-one?
7-(2-methoxyethoxy)phenoxazin-3-one has a molecular weight of 271.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxy)phenoxazin-3-one is sourced from PubChem (CID 56655747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).