sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride

C15H10ClNaO7 — CID 175300152

IUPACsodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
SMILESO=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.[Cl-].[Na+]
InChIInChI=1S/C15H10O7.ClH.Na/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;1H;/q;;+1/p-1
InChIKeyRUWKDXYGNKZOCA-UHFFFAOYSA-M
MW360.68 g/mol
LogP-4.00
Rot. Bonds1

About sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride

sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride (PubChem CID 175300152) has the molecular formula C15H10ClNaO7 and a molecular weight of 360.68 g/mol. Its IUPAC name is sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride.

Molecular Properties

Compound Namesodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
PubChem CID175300152
Molecular FormulaC15H10ClNaO7
Molecular Weight360.68 g/mol
Exact Mass360.00
IUPAC Namesodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
SMILESO=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.[Cl-].[Na+]
InChIInChI=1S/C15H10O7.ClH.Na/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;1H;/q;;+1/p-1
InChIKeyRUWKDXYGNKZOCA-UHFFFAOYSA-M
XLogP-4.00
TPSA131.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 5-4.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067
cobalt;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 174557156
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833
bis(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one);manganese(2+);dihydrate
CID 53494945
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 87194553
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;tris(2,3,5,6-tetramethylpyrazine)
CID 139048285
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;ethoxyethane
CID 89445279
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 5281672
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;[2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenyl] dihydrogen phosphate
CID 159607400
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
CID 10453329
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dipyridin-4-yldiazene;oxolane
CID 139048298

Frequently Asked Questions

What is the IUPAC name of sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride?
The IUPAC name of sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride (CID 175300152) is sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride.
What is the SMILES notation for sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride?
The canonical SMILES for sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride is O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.[Cl-].[Na+].
What is the InChIKey of sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride?
The InChIKey is RUWKDXYGNKZOCA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10O7.ClH.Na/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;1H;/q;;+1/p-1.
What are the key properties of sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride?
sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride has a molecular weight of 360.68 g/mol, XLogP of -4.00, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride is sourced from PubChem (CID 175300152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).