(Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum

C17H16NO4Pt- — CID 58106833

IUPAC(Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum
SMILESCC(=O)/C=C(\O)CC(O)c1cccc(Oc2[c-]cccc2)n1.[Pt]
InChIInChI=1S/C17H16NO4.Pt/c1-12(19)10-13(20)11-16(21)15-8-5-9-17(18-15)22-14-6-3-2-4-7-14;/h2-6,8-10,16,20-21H,11H2,1H3;/q-1;/b13-10-;
InChIKeyQEDCLKBPCJLHTE-ALUHPYBCSA-N
MW493.40 g/mol
LogP3.13
Rot. Bonds6

About (Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum

(Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum (PubChem CID 58106833) has the molecular formula C17H16NO4Pt- and a molecular weight of 493.40 g/mol. Its IUPAC name is (Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum.

Molecular Properties

Compound Name(Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum
PubChem CID58106833
Molecular FormulaC17H16NO4Pt-
Molecular Weight493.40 g/mol
Exact Mass493.07
IUPAC Name(Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum
SMILESCC(=O)/C=C(\O)CC(O)c1cccc(Oc2[c-]cccc2)n1.[Pt]
InChIInChI=1S/C17H16NO4.Pt/c1-12(19)10-13(20)11-16(21)15-8-5-9-17(18-15)22-14-6-3-2-4-7-14;/h2-6,8-10,16,20-21H,11H2,1H3;/q-1;/b13-10-;
InChIKeyQEDCLKBPCJLHTE-ALUHPYBCSA-N
XLogP3.13
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum?
The IUPAC name of (Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum (CID 58106833) is (Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum.
What is the SMILES notation for (Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum?
The canonical SMILES for (Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum is CC(=O)/C=C(\O)CC(O)c1cccc(Oc2[c-]cccc2)n1.[Pt].
What is the InChIKey of (Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum?
The InChIKey is QEDCLKBPCJLHTE-ALUHPYBCSA-N. The full InChI is InChI=1S/C17H16NO4.Pt/c1-12(19)10-13(20)11-16(21)15-8-5-9-17(18-15)22-14-6-3-2-4-7-14;/h2-6,8-10,16,20-21H,11H2,1H3;/q-1;/b13-10-;.
What are the key properties of (Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum?
(Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum has a molecular weight of 493.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,6-dihydroxy-6-[6-(phenoxy)-2-pyridinyl]hex-3-en-2-one;platinum is sourced from PubChem (CID 58106833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).