2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one

C23H23NO5 — CID 46303053

IUPAC2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
SMILESCc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H23NO5/c1-15-7-9-17(10-8-15)21-22(20(25)18-5-3-4-6-19(18)29-21)28-16(2)23(26)24-11-13-27-14-12-24/h3-10,16H,11-14H2,1-2H3
InChIKeyYCSYIRDRDUOWET-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.39
Rot. Bonds4

About 2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one

2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one (PubChem CID 46303053) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
PubChem CID46303053
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
SMILESCc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H23NO5/c1-15-7-9-17(10-8-15)21-22(20(25)18-5-3-4-6-19(18)29-21)28-16(2)23(26)24-11-13-27-14-12-24/h3-10,16H,11-14H2,1-2H3
InChIKeyYCSYIRDRDUOWET-UHFFFAOYSA-N
XLogP3.39
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
CID 46303437
N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 46303054
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 3316849
4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one
CID 71462078
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
6,7-dimethyl-2-(4-methylphenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 20999491
2-(3-hydroxy-2-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43143211
2-(2-acetylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43083116
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-1-morpholin-4-ylpropan-1-one
CID 43505242
1-morpholin-4-yl-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]ethane-1,2-dione
CID 55607691
2-(4-chlorophenyl)-7-methyl-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 4126222

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one (CID 46303053) is 2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one is Cc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one?
The InChIKey is YCSYIRDRDUOWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-15-7-9-17(10-8-15)21-22(20(25)18-5-3-4-6-19(18)29-21)28-16(2)23(26)24-11-13-27-14-12-24/h3-10,16H,11-14H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one?
2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one has a molecular weight of 393.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one is sourced from PubChem (CID 46303053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).