[2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate

C18H21NO6 — CID 134122335

IUPAC[2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate
SMILESCC(=O)Oc1cc(OCCN2CCOCC2)cc2oc(C)cc(=O)c12
InChIInChI=1S/C18H21NO6/c1-12-9-15(21)18-16(24-12)10-14(11-17(18)25-13(2)20)23-8-5-19-3-6-22-7-4-19/h9-11H,3-8H2,1-2H3
InChIKeyXOLLYUDGFWWNKP-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.74
Rot. Bonds5

About [2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate

[2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate (PubChem CID 134122335) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is [2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate.

Molecular Properties

Compound Name[2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate
PubChem CID134122335
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name[2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate
SMILESCC(=O)Oc1cc(OCCN2CCOCC2)cc2oc(C)cc(=O)c12
InChIInChI=1S/C18H21NO6/c1-12-9-15(21)18-16(24-12)10-14(11-17(18)25-13(2)20)23-8-5-19-3-6-22-7-4-19/h9-11H,3-8H2,1-2H3
InChIKeyXOLLYUDGFWWNKP-UHFFFAOYSA-N
XLogP1.74
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
CID 142688406
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
CID 143406690
4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one
CID 54738935
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110638166
methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 143419572

Frequently Asked Questions

What is the IUPAC name of [2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate?
The IUPAC name of [2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate (CID 134122335) is [2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate.
What is the SMILES notation for [2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate?
The canonical SMILES for [2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate is CC(=O)Oc1cc(OCCN2CCOCC2)cc2oc(C)cc(=O)c12.
What is the InChIKey of [2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate?
The InChIKey is XOLLYUDGFWWNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-12-9-15(21)18-16(24-12)10-14(11-17(18)25-13(2)20)23-8-5-19-3-6-22-7-4-19/h9-11H,3-8H2,1-2H3.
What are the key properties of [2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate?
[2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate has a molecular weight of 347.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate is sourced from PubChem (CID 134122335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).