7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one

C19H13NO4 — CID 140575281

IUPAC7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one
SMILESCOc1ccc(-c2cc(=O)cc3oc4cc(O)ccc4nc2-3)cc1
InChIInChI=1S/C19H13NO4/c1-23-14-5-2-11(3-6-14)15-8-13(22)10-18-19(15)20-16-7-4-12(21)9-17(16)24-18/h2-10,21H,1H3
InChIKeyRNKRYBKHXHQTDA-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.67
Rot. Bonds2

About 7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one

7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one (PubChem CID 140575281) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one.

Molecular Properties

Compound Name7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one
PubChem CID140575281
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one
SMILESCOc1ccc(-c2cc(=O)cc3oc4cc(O)ccc4nc2-3)cc1
InChIInChI=1S/C19H13NO4/c1-23-14-5-2-11(3-6-14)15-8-13(22)10-18-19(15)20-16-7-4-12(21)9-17(16)24-18/h2-10,21H,1H3
InChIKeyRNKRYBKHXHQTDA-UHFFFAOYSA-N
XLogP3.67
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one?
The IUPAC name of 7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one (CID 140575281) is 7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one.
What is the SMILES notation for 7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one?
The canonical SMILES for 7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one is COc1ccc(-c2cc(=O)cc3oc4cc(O)ccc4nc2-3)cc1.
What is the InChIKey of 7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one?
The InChIKey is RNKRYBKHXHQTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c1-23-14-5-2-11(3-6-14)15-8-13(22)10-18-19(15)20-16-7-4-12(21)9-17(16)24-18/h2-10,21H,1H3.
What are the key properties of 7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one?
7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one has a molecular weight of 319.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one is sourced from PubChem (CID 140575281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).