2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone

C20H14N2O4S — CID 1371806

IUPAC2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone
SMILESO=C(COc1ccccc1[N+](=O)[O-])N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H14N2O4S/c23-20(13-26-17-10-4-1-7-14(17)22(24)25)21-15-8-2-5-11-18(15)27-19-12-6-3-9-16(19)21/h1-12H,13H2
InChIKeySOXKZEAFCSJGQV-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.80
Rot. Bonds4

About 2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone

2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone (PubChem CID 1371806) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone
PubChem CID1371806
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC Name2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone
SMILESO=C(COc1ccccc1[N+](=O)[O-])N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H14N2O4S/c23-20(13-26-17-10-4-1-7-14(17)22(24)25)21-15-8-2-5-11-18(15)27-19-12-6-3-9-16(19)21/h1-12H,13H2
InChIKeySOXKZEAFCSJGQV-UHFFFAOYSA-N
XLogP4.80
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone (CID 1371806) is 2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone is O=C(COc1ccccc1[N+](=O)[O-])N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone?
The InChIKey is SOXKZEAFCSJGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c23-20(13-26-17-10-4-1-7-14(17)22(24)25)21-15-8-2-5-11-18(15)27-19-12-6-3-9-16(19)21/h1-12H,13H2.
What are the key properties of 2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone?
2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone has a molecular weight of 378.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 1371806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).