sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one

C15H11NaO5 — CID 174885991

IUPACsodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12.[H-].[Na+]
InChIInChI=1S/C15H10O5.Na.H/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12;;/h1-7,17-19H;;/q;+1;-1
InChIKeyYCKLZQFCVAGXJK-UHFFFAOYSA-N
MW294.24 g/mol
LogP-0.31
Rot. Bonds1

About sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one

sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one (PubChem CID 174885991) has the molecular formula C15H11NaO5 and a molecular weight of 294.24 g/mol. Its IUPAC name is sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Namesodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
PubChem CID174885991
Molecular FormulaC15H11NaO5
Molecular Weight294.24 g/mol
Exact Mass294.05
IUPAC Namesodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12.[H-].[Na+]
InChIInChI=1S/C15H10O5.Na.H/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12;;/h1-7,17-19H;;/q;+1;-1
InChIKeyYCKLZQFCVAGXJK-UHFFFAOYSA-N
XLogP-0.31
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
CID 11426691
5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
CID 134156790
5,7-dihydroxy-6-(hydroxymethyl)-2-phenylchromen-4-one;5,7-dihydroxy-2-phenylchromen-4-one;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 159238028
2-(3,5-dihydroxyphenyl)-5,6,7-trihydroxychromen-4-one
CID 131834556
CID 172853606
CID 172853606
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
5,6,7-trihydroxy-2-phenylchromen-4-one;1,3,7-trimethylpurine-2,6-dione
CID 129098991
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one?
The IUPAC name of sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one (CID 174885991) is sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one?
The canonical SMILES for sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12.[H-].[Na+].
What is the InChIKey of sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one?
The InChIKey is YCKLZQFCVAGXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5.Na.H/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12;;/h1-7,17-19H;;/q;+1;-1.
What are the key properties of sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one?
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one has a molecular weight of 294.24 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 174885991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).