(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum

C18H23N2O4Pt- — CID 58401612

IUPAC(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum
SMILESCC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2cn(C)cn2)c(CO)c1.[Pt]
InChIInChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-6-12(13-8-14)11-4-3-10(16-2)5-9(11)7-15;1-4(5(2)7)6(3)8;/h3,5-6,8,15H,7H2,1-2H3;7H,1-3H3;/q-1;;/b;5-4-;
InChIKeyMZPUCMIFLWHYQJ-FXHNQCOHSA-N
MW526.47 g/mol
LogP2.81
Rot. Bonds4

About (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum

(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum (PubChem CID 58401612) has the molecular formula C18H23N2O4Pt- and a molecular weight of 526.47 g/mol. Its IUPAC name is (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum.

Molecular Properties

Compound Name(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum
PubChem CID58401612
Molecular FormulaC18H23N2O4Pt-
Molecular Weight526.47 g/mol
Exact Mass526.13
IUPAC Name(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum
SMILESCC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2cn(C)cn2)c(CO)c1.[Pt]
InChIInChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-6-12(13-8-14)11-4-3-10(16-2)5-9(11)7-15;1-4(5(2)7)6(3)8;/h3,5-6,8,15H,7H2,1-2H3;7H,1-3H3;/q-1;;/b;5-4-;
InChIKeyMZPUCMIFLWHYQJ-FXHNQCOHSA-N
XLogP2.81
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-4-phenylimidazole
CID 57596135
4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 57596158
(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
CID 58401306
4-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum(2+)
CID 58401558
4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum
CID 59661574

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum?
The IUPAC name of (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum (CID 58401612) is (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum.
What is the SMILES notation for (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum?
The canonical SMILES for (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum is CC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2cn(C)cn2)c(CO)c1.[Pt].
What is the InChIKey of (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum?
The InChIKey is MZPUCMIFLWHYQJ-FXHNQCOHSA-N. The full InChI is InChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-6-12(13-8-14)11-4-3-10(16-2)5-9(11)7-15;1-4(5(2)7)6(3)8;/h3,5-6,8,15H,7H2,1-2H3;7H,1-3H3;/q-1;;/b;5-4-;.
What are the key properties of (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum?
(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum has a molecular weight of 526.47 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum is sourced from PubChem (CID 58401612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).