[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate

C29H36O6 — CID 154273531

About [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate (PubChem CID 154273531) has the molecular formula C29H36O6 and a molecular weight of 480.60 g/mol. Its IUPAC name is [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate
• PubChem CID: 154273531
• Molecular Formula: C29H36O6
• Molecular Weight: 480.60 g/mol
• Exact Mass: 480.25
• IUPAC Name: [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC(O)Cc1ccccc1C(C)(C)c1ccccc1CC(O)COC(=O)C(=C)C
• InChI: InChI=1S/C29H36O6/c1-19(2)27(32)34-17-23(30)15-21-11-7-9-13-25(21)29(5,6)26-14-10-8-12-22(26)16-24(31)18-35-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3
• InChIKey: WCAOBKYJGPHWKN-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 93.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.60
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate?

The IUPAC name of [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate (CID 154273531) is [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate.

What is the SMILES notation for [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate?

The canonical SMILES for [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)Cc1ccccc1C(C)(C)c1ccccc1CC(O)COC(=O)C(=C)C.

What is the InChIKey of [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate?

The InChIKey is WCAOBKYJGPHWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O6/c1-19(2)27(32)34-17-23(30)15-21-11-7-9-13-25(21)29(5,6)26-14-10-8-12-22(26)16-24(31)18-35-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3.

What are the key properties of [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate?

[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate has a molecular weight of 480.60 g/mol, XLogP of 4.06, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 154273531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).