[3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate

C24H23NO8 — CID 2008973

IUPAC[3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate
SMILESCCOC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1
InChIInChI=1S/C24H23NO8/c1-3-30-23(27)16-4-6-17(7-5-16)32-22-15(2)31-20-14-18(8-9-19(20)21(22)26)33-24(28)25-10-12-29-13-11-25/h4-9,14H,3,10-13H2,1-2H3
InChIKeyMKOCTCPLROSUGU-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.90
Rot. Bonds5

About [3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate

[3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate (PubChem CID 2008973) has the molecular formula C24H23NO8 and a molecular weight of 453.45 g/mol. Its IUPAC name is [3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate
PubChem CID2008973
Molecular FormulaC24H23NO8
Molecular Weight453.45 g/mol
Exact Mass453.14
IUPAC Name[3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate
SMILESCCOC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1
InChIInChI=1S/C24H23NO8/c1-3-30-23(27)16-4-6-17(7-5-16)32-22-15(2)31-20-14-18(8-9-19(20)21(22)26)33-24(28)25-10-12-29-13-11-25/h4-9,14H,3,10-13H2,1-2H3
InChIKeyMKOCTCPLROSUGU-UHFFFAOYSA-N
XLogP3.90
TPSA104.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[2-methyl-7-[(4-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2000239
ethyl 4-[2-methyl-7-[(2-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2005277
methyl 4-[7-(2-chloropropanoyloxy)-2-methyl-4-oxochromen-3-yl]oxybenzoate
CID 110274745
[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate
CID 1034256
[2-methyl-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 5-chloro-1-benzofuran-2-carboxylate
CID 95398357
4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid
CID 2322568
ethyl 7-acetyloxy-4-oxo-3-phenoxychromene-2-carboxylate
CID 30105048
3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5415951
[3-(4-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] 4-[hydroxy(oxido)amino]benzoate
CID 163152229
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
[3-(4-ethoxycarbonylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethoxybenzoate
CID 95397751
methyl 4-[2-methyl-4-oxo-7-[2-(2,3,4,5,6-pentafluorophenoxy)propanoyloxy]chromen-3-yl]oxybenzoate
CID 110274143

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate?
The IUPAC name of [3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate (CID 2008973) is [3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate.
What is the SMILES notation for [3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate?
The canonical SMILES for [3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate is CCOC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1.
What is the InChIKey of [3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate?
The InChIKey is MKOCTCPLROSUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO8/c1-3-30-23(27)16-4-6-17(7-5-16)32-22-15(2)31-20-14-18(8-9-19(20)21(22)26)33-24(28)25-10-12-29-13-11-25/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of [3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate?
[3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate has a molecular weight of 453.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate is sourced from PubChem (CID 2008973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).