2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol

C16H19NO3 — CID 122229960

IUPAC2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol
SMILESOCCOCCN1COc2ccc3ccccc3c2C1
InChIInChI=1S/C16H19NO3/c18-8-10-19-9-7-17-11-15-14-4-2-1-3-13(14)5-6-16(15)20-12-17/h1-6,18H,7-12H2
InChIKeyOOWGDOXCTMHNPX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.00
Rot. Bonds5

About 2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol

2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol (PubChem CID 122229960) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol
PubChem CID122229960
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol
SMILESOCCOCCN1COc2ccc3ccccc3c2C1
InChIInChI=1S/C16H19NO3/c18-8-10-19-9-7-17-11-15-14-4-2-1-3-13(14)5-6-16(15)20-12-17/h1-6,18H,7-12H2
InChIKeyOOWGDOXCTMHNPX-UHFFFAOYSA-N
XLogP2.00
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
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-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol (CID 122229960) is 2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol is OCCOCCN1COc2ccc3ccccc3c2C1.
What is the InChIKey of 2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol?
The InChIKey is OOWGDOXCTMHNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-8-10-19-9-7-17-11-15-14-4-2-1-3-13(14)5-6-16(15)20-12-17/h1-6,18H,7-12H2.
What are the key properties of 2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol?
2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol has a molecular weight of 273.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol is sourced from PubChem (CID 122229960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).