7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one

C22H18F3NO6 — CID 121309102

IUPAC7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one
SMILESO=C(COc1ccc2c(=O)c(-c3ccc(OC(F)(F)F)cc3)coc2c1)N1CCOCC1
InChIInChI=1S/C22H18F3NO6/c23-22(24,25)32-15-3-1-14(2-4-15)18-12-31-19-11-16(5-6-17(19)21(18)28)30-13-20(27)26-7-9-29-10-8-26/h1-6,11-12H,7-10,13H2
InChIKeyFHMIXAAEZMBSMN-UHFFFAOYSA-N
MW449.38 g/mol
LogP3.60
Rot. Bonds5

About 7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one

7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one (PubChem CID 121309102) has the molecular formula C22H18F3NO6 and a molecular weight of 449.38 g/mol. Its IUPAC name is 7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one
PubChem CID121309102
Molecular FormulaC22H18F3NO6
Molecular Weight449.38 g/mol
Exact Mass449.11
IUPAC Name7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one
SMILESO=C(COc1ccc2c(=O)c(-c3ccc(OC(F)(F)F)cc3)coc2c1)N1CCOCC1
InChIInChI=1S/C22H18F3NO6/c23-22(24,25)32-15-3-1-14(2-4-15)18-12-31-19-11-16(5-6-17(19)21(18)28)30-13-20(27)26-7-9-29-10-8-26/h1-6,11-12H,7-10,13H2
InChIKeyFHMIXAAEZMBSMN-UHFFFAOYSA-N
XLogP3.60
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-3-(4-tert-butylphenyl)chromen-4-one
CID 121309110
7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 40919216
7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 166201379
3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
CID 56640470
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 40899939
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 41091483
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one
CID 41118369
7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641848
7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641888
5-hydroxy-3,7-bis[4-(trifluoromethoxy)phenyl]pyrano[3,2-g]chromene-4,6-dione
CID 127050507
[4-[4-oxo-7-(2,2,3,3,3-pentafluoropropanoyloxy)chromen-3-yl]phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91710836

Frequently Asked Questions

What is the IUPAC name of 7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one?
The IUPAC name of 7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one (CID 121309102) is 7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one.
What is the SMILES notation for 7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one?
The canonical SMILES for 7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one is O=C(COc1ccc2c(=O)c(-c3ccc(OC(F)(F)F)cc3)coc2c1)N1CCOCC1.
What is the InChIKey of 7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one?
The InChIKey is FHMIXAAEZMBSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO6/c23-22(24,25)32-15-3-1-14(2-4-15)18-12-31-19-11-16(5-6-17(19)21(18)28)30-13-20(27)26-7-9-29-10-8-26/h1-6,11-12H,7-10,13H2.
What are the key properties of 7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one?
7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one has a molecular weight of 449.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one is sourced from PubChem (CID 121309102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).