3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one

C24H27NO6 — CID 25282759

IUPAC3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESCCOCCCN1COc2ccc3c(=O)c(Oc4ccccc4OCC)coc3c2C1
InChIInChI=1S/C24H27NO6/c1-3-27-13-7-12-25-14-18-19(30-16-25)11-10-17-23(26)22(15-29-24(17)18)31-21-9-6-5-8-20(21)28-4-2/h5-6,8-11,15H,3-4,7,12-14,16H2,1-2H3
InChIKeyJFEGEQIOGRGDHZ-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.56
Rot. Bonds9

About 3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one

3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (PubChem CID 25282759) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
PubChem CID25282759
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESCCOCCCN1COc2ccc3c(=O)c(Oc4ccccc4OCC)coc3c2C1
InChIInChI=1S/C24H27NO6/c1-3-27-13-7-12-25-14-18-19(30-16-25)11-10-17-23(26)22(15-29-24(17)18)31-21-9-6-5-8-20(21)28-4-2/h5-6,8-11,15H,3-4,7,12-14,16H2,1-2H3
InChIKeyJFEGEQIOGRGDHZ-UHFFFAOYSA-N
XLogP4.56
TPSA70.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one with MolForge

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Launch Full Analysis

Related Compounds

propyl 4-[[9-(2-methoxyethyl)-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate
CID 42534440
3-(2-ethoxyphenoxy)-9-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
CID 95397234
9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(2-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
CID 29148256
9-(3-methoxypropyl)-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 25282326
ethyl 4-[[9-(2-methoxyethyl)-2-methyl-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate
CID 42570249
3-(2-ethoxyphenoxy)-7-(2-methylprop-2-enoxy)chromen-4-one
CID 984812
3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
CID 74415286
3-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoic acid
CID 22682676
2,9-bis(3-ethenoxypropyl)-1,3,8,10-tetrahydro-[1,3]oxazino[5,6-f][1,3]benzoxazine
CID 20730125
2-[2-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)ethoxy]ethanol
CID 122229960
3-ethyl-9-[(2-methoxyphenyl)methyl]-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 20915625
3-(2-bromophenoxy)-9-[(3,4-dichlorophenyl)methyl]-2-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
CID 95397374

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The IUPAC name of 3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (CID 25282759) is 3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.
What is the SMILES notation for 3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The canonical SMILES for 3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is CCOCCCN1COc2ccc3c(=O)c(Oc4ccccc4OCC)coc3c2C1.
What is the InChIKey of 3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The InChIKey is JFEGEQIOGRGDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-3-27-13-7-12-25-14-18-19(30-16-25)11-10-17-23(26)22(15-29-24(17)18)31-21-9-6-5-8-20(21)28-4-2/h5-6,8-11,15H,3-4,7,12-14,16H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one has a molecular weight of 425.48 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)-9-(3-ethoxypropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is sourced from PubChem (CID 25282759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).