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

C23H23NO7 — CID 1305064

IUPAC[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate
SMILESCCOc1ccccc1Oc1c(C)oc2cc(OC(=O)N3CCOCC3)ccc2c1=O
InChIInChI=1S/C23H23NO7/c1-3-28-18-6-4-5-7-19(18)31-22-15(2)29-20-14-16(8-9-17(20)21(22)25)30-23(26)24-10-12-27-13-11-24/h4-9,14H,3,10-13H2,1-2H3
InChIKeyPFKLCTGUQJLWFJ-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.12
Rot. Bonds5

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

[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate (PubChem CID 1305064) has the molecular formula C23H23NO7 and a molecular weight of 425.44 g/mol. Its IUPAC name is [3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate
PubChem CID1305064
Molecular FormulaC23H23NO7
Molecular Weight425.44 g/mol
Exact Mass425.15
IUPAC Name[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate
SMILESCCOc1ccccc1Oc1c(C)oc2cc(OC(=O)N3CCOCC3)ccc2c1=O
InChIInChI=1S/C23H23NO7/c1-3-28-18-6-4-5-7-19(18)31-22-15(2)29-20-14-16(8-9-17(20)21(22)25)30-23(26)24-10-12-27-13-11-24/h4-9,14H,3,10-13H2,1-2H3
InChIKeyPFKLCTGUQJLWFJ-UHFFFAOYSA-N
XLogP4.12
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate?
The IUPAC name of [3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate (CID 1305064) is [3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate.
What is the SMILES notation for [3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate?
The canonical SMILES for [3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate is CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)N3CCOCC3)ccc2c1=O.
What is the InChIKey of [3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate?
The InChIKey is PFKLCTGUQJLWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO7/c1-3-28-18-6-4-5-7-19(18)31-22-15(2)29-20-14-16(8-9-17(20)21(22)25)30-23(26)24-10-12-27-13-11-24/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of [3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate?
[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate has a molecular weight of 425.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate is sourced from PubChem (CID 1305064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).