[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum

C25H34NO5Pt- — CID 58401881

About [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum

[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum (PubChem CID 58401881) has the molecular formula C25H34NO5Pt- and a molecular weight of 623.63 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum.

Molecular Properties

• Compound Name: [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum
• PubChem CID: 58401881
• Molecular Formula: C25H34NO5Pt-
• Molecular Weight: 623.63 g/mol
• Exact Mass: 623.21
• IUPAC Name: [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum
• SMILES: CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.COc1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.[Pt]
• InChI: InChI=1S/C14H14NO3.C11H20O2.Pt/c1-18-12-2-3-13(11(7-12)9-17)14-6-10(8-16)4-5-15-14;1-10(2,3)8(12)7-9(13)11(4,5)6;/h2,4-7,16-17H,8-9H2,1H3;7,12H,1-6H3;/q-1;;/b;8-7-
• InChIKey: VVCPCTRCLSFGJY-HXIBTQJOSA-N
• XLogP: 4.63
• TPSA: 99.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	623.63
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum?

The IUPAC name of [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum (CID 58401881) is [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum.

What is the SMILES notation for [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum?

The canonical SMILES for [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum is CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.COc1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.[Pt].

What is the InChIKey of [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum?

The InChIKey is VVCPCTRCLSFGJY-HXIBTQJOSA-N. The full InChI is InChI=1S/C14H14NO3.C11H20O2.Pt/c1-18-12-2-3-13(11(7-12)9-17)14-6-10(8-16)4-5-15-14;1-10(2,3)8(12)7-9(13)11(4,5)6;/h2,4-7,16-17H,8-9H2,1H3;7,12H,1-6H3;/q-1;;/b;8-7-;.

What are the key properties of [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum?

[2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum has a molecular weight of 623.63 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum is sourced from PubChem (CID 58401881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).