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

C21H19NO7 — CID 1302741

IUPAC[3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate
SMILESCOc1ccccc1Oc1coc2cc(OC(=O)N3CCOCC3)ccc2c1=O
InChIInChI=1S/C21H19NO7/c1-25-16-4-2-3-5-17(16)29-19-13-27-18-12-14(6-7-15(18)20(19)23)28-21(24)22-8-10-26-11-9-22/h2-7,12-13H,8-11H2,1H3
InChIKeySIAYVAJLWJRQMR-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.42
Rot. Bonds4

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

[3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate (PubChem CID 1302741) has the molecular formula C21H19NO7 and a molecular weight of 397.38 g/mol. Its IUPAC name is [3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate
PubChem CID1302741
Molecular FormulaC21H19NO7
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC Name[3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate
SMILESCOc1ccccc1Oc1coc2cc(OC(=O)N3CCOCC3)ccc2c1=O
InChIInChI=1S/C21H19NO7/c1-25-16-4-2-3-5-17(16)29-19-13-27-18-12-14(6-7-15(18)20(19)23)28-21(24)22-8-10-26-11-9-22/h2-7,12-13H,8-11H2,1H3
InChIKeySIAYVAJLWJRQMR-UHFFFAOYSA-N
XLogP3.42
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate?
The IUPAC name of [3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate (CID 1302741) is [3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate.
What is the SMILES notation for [3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate?
The canonical SMILES for [3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate is COc1ccccc1Oc1coc2cc(OC(=O)N3CCOCC3)ccc2c1=O.
What is the InChIKey of [3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate?
The InChIKey is SIAYVAJLWJRQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO7/c1-25-16-4-2-3-5-17(16)29-19-13-27-18-12-14(6-7-15(18)20(19)23)28-21(24)22-8-10-26-11-9-22/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate?
[3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate has a molecular weight of 397.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenoxy)-4-oxochromen-7-yl] morpholine-4-carboxylate is sourced from PubChem (CID 1302741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).