[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate

C22H18F3NO7 — CID 1034256

IUPAC[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate
SMILESCOc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)c1
InChIInChI=1S/C22H18F3NO7/c1-29-13-3-2-4-14(11-13)31-19-18(27)16-6-5-15(12-17(16)33-20(19)22(23,24)25)32-21(28)26-7-9-30-10-8-26/h2-6,11-12H,7-10H2,1H3
InChIKeyGKKSNTSXKCKVGJ-UHFFFAOYSA-N
MW465.38 g/mol
LogP4.44
Rot. Bonds4

About [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate

[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate (PubChem CID 1034256) has the molecular formula C22H18F3NO7 and a molecular weight of 465.38 g/mol. Its IUPAC name is [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate
PubChem CID1034256
Molecular FormulaC22H18F3NO7
Molecular Weight465.38 g/mol
Exact Mass465.10
IUPAC Name[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate
SMILESCOc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)c1
InChIInChI=1S/C22H18F3NO7/c1-29-13-3-2-4-14(11-13)31-19-18(27)16-6-5-15(12-17(16)33-20(19)22(23,24)25)32-21(28)26-7-9-30-10-8-26/h2-6,11-12H,7-10H2,1H3
InChIKeyGKKSNTSXKCKVGJ-UHFFFAOYSA-N
XLogP4.44
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate with MolForge

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Related Compounds

[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate
CID 2016630
2-[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]morpholine-4-carboxylate
CID 22303341
[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] N,N-diphenylcarbamate
CID 2044143
[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3,4-dimethoxybenzoate
CID 2023175
7-methoxy-3-phenoxy-2-(trifluoromethyl)chromen-4-one
CID 746340
[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-aminopropanoate
CID 21204102
[3-(4-ethoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-yl] morpholine-4-carboxylate
CID 2008973
2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetic acid
CID 7140143
1-O-tert-butyl 2-O-[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] pyrrolidine-1,2-dicarboxylate
CID 3822436
[4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-7-yl] acetate
CID 1036412
[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-(4-chlorophenoxy)propanoate
CID 4066518
7-methoxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one
CID 1193474

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate?
The IUPAC name of [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate (CID 1034256) is [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate.
What is the SMILES notation for [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate?
The canonical SMILES for [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate is COc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)c1.
What is the InChIKey of [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate?
The InChIKey is GKKSNTSXKCKVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO7/c1-29-13-3-2-4-14(11-13)31-19-18(27)16-6-5-15(12-17(16)33-20(19)22(23,24)25)32-21(28)26-7-9-30-10-8-26/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate?
[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate has a molecular weight of 465.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] morpholine-4-carboxylate is sourced from PubChem (CID 1034256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).