[2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+)

C28H28N2O6Pt — CID 58401711

About [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+)

[2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+) (PubChem CID 58401711) has the molecular formula C28H28N2O6Pt and a molecular weight of 683.62 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+).

Molecular Properties

• Compound Name: [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+)
• PubChem CID: 58401711
• Molecular Formula: C28H28N2O6Pt
• Molecular Weight: 683.62 g/mol
• Exact Mass: 683.16
• IUPAC Name: [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+)
• SMILES: COc1[c-]c(-c2cc(CO)ccn2)c(CO)cc1.COc1ccnc(-c2[c-]c(CO)ccc2OC)c1.[Pt+2]
• InChI: InChI=1S/2C14H14NO3.Pt/c1-17-11-5-6-15-13(8-11)12-7-10(9-16)3-4-14(12)18-2;1-18-12-3-2-11(9-17)13(7-12)14-6-10(8-16)4-5-15-14;/h3-6,8,16H,9H2,1-2H3;2-6,16-17H,8-9H2,1H3;/q2*-1;+2
• InChIKey: OHRCUPABPWMEOF-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 114.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	683.62
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+)?

The IUPAC name of [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+) (CID 58401711) is [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+).

What is the SMILES notation for [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+)?

The canonical SMILES for [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+) is COc1[c-]c(-c2cc(CO)ccn2)c(CO)cc1.COc1ccnc(-c2[c-]c(CO)ccc2OC)c1.[Pt+2].

What is the InChIKey of [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+)?

The InChIKey is OHRCUPABPWMEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14NO3.Pt/c1-17-11-5-6-15-13(8-11)12-7-10(9-16)3-4-14(12)18-2;1-18-12-3-2-11(9-17)13(7-12)14-6-10(8-16)4-5-15-14;/h3-6,8,16H,9H2,1-2H3;2-6,16-17H,8-9H2,1H3;/q2*-1;+2.

What are the key properties of [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+)?

[2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+) has a molecular weight of 683.62 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(hydroxymethyl)-5-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol;[4-methoxy-3-(4-methoxy-2-pyridinyl)benzene-2-id-1-yl]methanol;platinum(2+) is sourced from PubChem (CID 58401711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).