methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate

C28H25NO6 — CID 58757664

IUPACmethyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1
InChIInChI=1S/C28H25NO6/c1-32-27(31)18-34-25-11-10-20(16-23(25)19-6-3-2-4-7-19)21-8-5-9-22-24(30)17-26(35-28(21)22)29-12-14-33-15-13-29/h2-11,16-17H,12-15,18H2,1H3
InChIKeyKQKMIHZIHFYMTK-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.52
Rot. Bonds6

About methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate

methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate (PubChem CID 58757664) has the molecular formula C28H25NO6 and a molecular weight of 471.51 g/mol. Its IUPAC name is methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate
PubChem CID58757664
Molecular FormulaC28H25NO6
Molecular Weight471.51 g/mol
Exact Mass471.17
IUPAC Namemethyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1
InChIInChI=1S/C28H25NO6/c1-32-27(31)18-34-25-11-10-20(16-23(25)19-6-3-2-4-7-19)21-8-5-9-22-24(30)17-26(35-28(21)22)29-12-14-33-15-13-29/h2-11,16-17H,12-15,18H2,1H3
InChIKeyKQKMIHZIHFYMTK-UHFFFAOYSA-N
XLogP4.52
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate?
The IUPAC name of methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate (CID 58757664) is methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate is COC(=O)COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1.
What is the InChIKey of methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate?
The InChIKey is KQKMIHZIHFYMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO6/c1-32-27(31)18-34-25-11-10-20(16-23(25)19-6-3-2-4-7-19)21-8-5-9-22-24(30)17-26(35-28(21)22)29-12-14-33-15-13-29/h2-11,16-17H,12-15,18H2,1H3.
What are the key properties of methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate?
methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate has a molecular weight of 471.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate is sourced from PubChem (CID 58757664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).