3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc

C15H10O6Zn — CID 175939811

IUPAC3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
SMILESO=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.[Zn]
InChIInChI=1S/C15H10O6.Zn/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15;/h1-6,16-18,20H;
InChIKeyNWKVEICTSBZFOC-UHFFFAOYSA-N
MW351.63 g/mol
LogP2.28
Rot. Bonds1

About 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc

3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc (PubChem CID 175939811) has the molecular formula C15H10O6Zn and a molecular weight of 351.63 g/mol. Its IUPAC name is 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc.

Molecular Properties

Compound Name3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
PubChem CID175939811
Molecular FormulaC15H10O6Zn
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
SMILESO=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.[Zn]
InChIInChI=1S/C15H10O6.Zn/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15;/h1-6,16-18,20H;
InChIKeyNWKVEICTSBZFOC-UHFFFAOYSA-N
XLogP2.28
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 10453329
3,5,7-trihydroxy-2-phenylchromen-4-one
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4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzoic acid
CID 86205753
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
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 5281672
bis(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one);manganese(2+);dihydrate
CID 53494945
sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
CID 175300152
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 87194553
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc?
The IUPAC name of 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc (CID 175939811) is 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc.
What is the SMILES notation for 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc?
The canonical SMILES for 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc is O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.[Zn].
What is the InChIKey of 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc?
The InChIKey is NWKVEICTSBZFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6.Zn/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15;/h1-6,16-18,20H;.
What are the key properties of 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc?
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc has a molecular weight of 351.63 g/mol, XLogP of 2.28, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc is sourced from PubChem (CID 175939811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).