5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride

C21H22ClNO8 — CID 142688406

IUPAC5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
SMILESCl.O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(OCCN3CCOCC3)cc(O)c12
InChIInChI=1S/C21H21NO8.ClH/c23-14-9-13(29-6-3-22-1-4-28-5-2-22)10-19-20(14)15(24)11-18(30-19)12-7-16(25)21(27)17(26)8-12;/h7-11,23,25-27H,1-6H2;1H
InChIKeySPLFUKPFHJODAG-UHFFFAOYSA-N
MW451.86 g/mol
LogP2.42
Rot. Bonds5

About 5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride

5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride (PubChem CID 142688406) has the molecular formula C21H22ClNO8 and a molecular weight of 451.86 g/mol. Its IUPAC name is 5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
PubChem CID142688406
Molecular FormulaC21H22ClNO8
Molecular Weight451.86 g/mol
Exact Mass451.10
IUPAC Name5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
SMILESCl.O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(OCCN3CCOCC3)cc(O)c12
InChIInChI=1S/C21H21NO8.ClH/c23-14-9-13(29-6-3-22-1-4-28-5-2-22)10-19-20(14)15(24)11-18(30-19)12-7-16(25)21(27)17(26)8-12;/h7-11,23,25-27H,1-6H2;1H
InChIKeySPLFUKPFHJODAG-UHFFFAOYSA-N
XLogP2.42
TPSA132.83 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.86
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
CID 122182136
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-piperidin-1-ylethoxy)chromen-4-one;hydrochloride
CID 142688405
5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one
CID 134122328
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride
CID 162676106
N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide
CID 162676107
[2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxochromen-5-yl] acetate
CID 134122335
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
5-hydroxy-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 122211341
5-hydroxy-2-(4-hydroxyphenyl)-7-morpholin-4-ylchromen-4-one
CID 90643979
7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride?
The IUPAC name of 5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride (CID 142688406) is 5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride.
What is the SMILES notation for 5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride?
The canonical SMILES for 5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride is Cl.O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(OCCN3CCOCC3)cc(O)c12.
What is the InChIKey of 5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride?
The InChIKey is SPLFUKPFHJODAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO8.ClH/c23-14-9-13(29-6-3-22-1-4-28-5-2-22)10-19-20(14)15(24)11-18(30-19)12-7-16(25)21(27)17(26)8-12;/h7-11,23,25-27H,1-6H2;1H.
What are the key properties of 5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride?
5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride has a molecular weight of 451.86 g/mol, XLogP of 2.42, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride is sourced from PubChem (CID 142688406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).