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

C15H10NdO7 — CID 175525833

IUPAC2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
SMILESO=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.[Nd]
InChIInChI=1S/C15H10O7.Nd/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;
InChIKeyACFMZZPAZWIJCH-UHFFFAOYSA-N
MW446.48 g/mol
LogP1.99
Rot. Bonds1

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

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium (PubChem CID 175525833) has the molecular formula C15H10NdO7 and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
PubChem CID175525833
Molecular FormulaC15H10NdO7
Molecular Weight446.48 g/mol
Exact Mass443.95
IUPAC Name2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
SMILESO=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.[Nd]
InChIInChI=1S/C15H10O7.Nd/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;
InChIKeyACFMZZPAZWIJCH-UHFFFAOYSA-N
XLogP1.99
TPSA131.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 51.99
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
sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
CID 175300152
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
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium (CID 175525833) is 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium is O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.[Nd].
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium?
The InChIKey is ACFMZZPAZWIJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O7.Nd/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;.
What are the key properties of 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium?
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium has a molecular weight of 446.48 g/mol, XLogP of 1.99, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium is sourced from PubChem (CID 175525833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).