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

C22H24ClNO9 — CID 122182136

IUPAC5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
SMILESCOc1c(-c2cc(O)c(O)c(O)c2)oc2cc(OCCN3CCOCC3)cc(O)c2c1=O.Cl
InChIInChI=1S/C22H23NO9.ClH/c1-29-22-20(28)18-14(24)10-13(31-7-4-23-2-5-30-6-3-23)11-17(18)32-21(22)12-8-15(25)19(27)16(26)9-12;/h8-11,24-27H,2-7H2,1H3;1H
InChIKeyCYOMJTCQWMJJKU-UHFFFAOYSA-N
MW481.89 g/mol
LogP2.42
Rot. Bonds6

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

5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride (PubChem CID 122182136) has the molecular formula C22H24ClNO9 and a molecular weight of 481.89 g/mol. Its IUPAC name is 5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
PubChem CID122182136
Molecular FormulaC22H24ClNO9
Molecular Weight481.89 g/mol
Exact Mass481.11
IUPAC Name5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
SMILESCOc1c(-c2cc(O)c(O)c(O)c2)oc2cc(OCCN3CCOCC3)cc(O)c2c1=O.Cl
InChIInChI=1S/C22H23NO9.ClH/c1-29-22-20(28)18-14(24)10-13(31-7-4-23-2-5-30-6-3-23)11-17(18)32-21(22)12-8-15(25)19(27)16(26)9-12;/h8-11,24-27H,2-7H2,1H3;1H
InChIKeyCYOMJTCQWMJJKU-UHFFFAOYSA-N
XLogP2.42
TPSA142.06 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.89
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride?
The IUPAC name of 5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride (CID 122182136) is 5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride.
What is the SMILES notation for 5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride?
The canonical SMILES for 5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride is COc1c(-c2cc(O)c(O)c(O)c2)oc2cc(OCCN3CCOCC3)cc(O)c2c1=O.Cl.
What is the InChIKey of 5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride?
The InChIKey is CYOMJTCQWMJJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO9.ClH/c1-29-22-20(28)18-14(24)10-13(31-7-4-23-2-5-30-6-3-23)11-17(18)32-21(22)12-8-15(25)19(27)16(26)9-12;/h8-11,24-27H,2-7H2,1H3;1H.
What are the key properties of 5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride?
5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride has a molecular weight of 481.89 g/mol, XLogP of 2.42, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methoxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride is sourced from PubChem (CID 122182136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).