2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol

C16H17NO2S — CID 57147596

IUPAC2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol
SMILESOCCOCCc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C16H17NO2S/c18-9-11-19-10-8-12-4-3-7-15-16(12)17-13-5-1-2-6-14(13)20-15/h1-7,17-18H,8-11H2
InChIKeyVTUMLWGBWHZDFV-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.45
Rot. Bonds5

About 2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol

2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol (PubChem CID 57147596) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol
PubChem CID57147596
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol
SMILESOCCOCCc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C16H17NO2S/c18-9-11-19-10-8-12-4-3-7-15-16(12)17-13-5-1-2-6-14(13)20-15/h1-7,17-18H,8-11H2
InChIKeyVTUMLWGBWHZDFV-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol (CID 57147596) is 2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol is OCCOCCc1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol?
The InChIKey is VTUMLWGBWHZDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-9-11-19-10-8-12-4-3-7-15-16(12)17-13-5-1-2-6-14(13)20-15/h1-7,17-18H,8-11H2.
What are the key properties of 2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol?
2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol has a molecular weight of 287.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol is sourced from PubChem (CID 57147596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).