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

C18H23N2O4Pt- — CID 58401306

IUPAC(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
SMILESCC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2nccn2C)c(CO)c1.[Pt]
InChIInChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;1-4(5(2)7)6(3)8;/h3,5-7,15H,8H2,1-2H3;7H,1-3H3;/q-1;;/b;5-4-;
InChIKeyQBBUHINMEJWODT-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-2-yl)benzene-3-id-1-yl]methanol;platinum

(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum (PubChem CID 58401306) 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-2-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-2-yl)benzene-3-id-1-yl]methanol;platinum
PubChem CID58401306
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-2-yl)benzene-3-id-1-yl]methanol;platinum
SMILESCC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2nccn2C)c(CO)c1.[Pt]
InChIInChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;1-4(5(2)7)6(3)8;/h3,5-7,15H,8H2,1-2H3;7H,1-3H3;/q-1;;/b;5-4-;
InChIKeyQBBUHINMEJWODT-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-2-phenylimidazole
CID 57596145
(Z)-4-hydroxypent-3-en-2-one;iridium;2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole
CID 57596154
Iridium;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol
CID 58202900
(Z)-4-hydroxy-3-methylpent-3-en-2-one;1-methyl-2-phenylimidazole;platinum
CID 58401352
2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
CID 58401401
(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
2-(2-Methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
CID 58401732
2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;iridium
CID 58769491
2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;(Z)-4-hydroxy-3-methylpent-3-en-2-one;platinum(2+)
CID 59661451
Iridium;1-methyl-2-phenylimidazole;pent-2-ene-2,4-diol
CID 146899915

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-2-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-2-yl)benzene-3-id-1-yl]methanol;platinum (CID 58401306) is (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-2-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-2-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-2-yl)benzene-3-id-1-yl]methanol;platinum is CC(=O)/C(C)=C(/C)O.COc1c[c-]c(-c2nccn2C)c(CO)c1.[Pt].
What is the InChIKey of (Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum?
The InChIKey is QBBUHINMEJWODT-FXHNQCOHSA-N. The full InChI is InChI=1S/C12H13N2O2.C6H10O2.Pt/c1-14-6-5-13-12(14)11-4-3-10(16-2)7-9(11)8-15;1-4(5(2)7)6(3)8;/h3,5-7,15H,8H2,1-2H3;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-2-yl)benzene-3-id-1-yl]methanol;platinum?
(Z)-4-hydroxy-3-methylpent-3-en-2-one;[5-methoxy-2-(1-methylimidazol-2-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-2-yl)benzene-3-id-1-yl]methanol;platinum is sourced from PubChem (CID 58401306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).