5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one

C20H19NO6 — CID 155568322

IUPAC5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCOCC4)cc3)oc12
InChIInChI=1S/C20H19NO6/c1-25-19-16(24)10-14(22)18-15(23)11-17(27-20(18)19)12-2-4-13(5-3-12)21-6-8-26-9-7-21/h2-5,10-11,22,24H,6-9H2,1H3
InChIKeyRCFAUUVPQUZGST-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.72
Rot. Bonds3

About 5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one

5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one (PubChem CID 155568322) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is 5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one
PubChem CID155568322
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCOCC4)cc3)oc12
InChIInChI=1S/C20H19NO6/c1-25-19-16(24)10-14(22)18-15(23)11-17(27-20(18)19)12-2-4-13(5-3-12)21-6-8-26-9-7-21/h2-5,10-11,22,24H,6-9H2,1H3
InChIKeyRCFAUUVPQUZGST-UHFFFAOYSA-N
XLogP2.72
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one (CID 155568322) is 5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one is COc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCOCC4)cc3)oc12.
What is the InChIKey of 5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one?
The InChIKey is RCFAUUVPQUZGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-25-19-16(24)10-14(22)18-15(23)11-17(27-20(18)19)12-2-4-13(5-3-12)21-6-8-26-9-7-21/h2-5,10-11,22,24H,6-9H2,1H3.
What are the key properties of 5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one?
5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one has a molecular weight of 369.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-methoxy-2-(4-morpholin-4-ylphenyl)chromen-4-one is sourced from PubChem (CID 155568322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).