[2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate

C61H58O11 — CID 155617136

About [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate (PubChem CID 155617136) has the molecular formula C61H58O11 and a molecular weight of 967.12 g/mol. Its IUPAC name is [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate
• PubChem CID: 155617136
• Molecular Formula: C61H58O11
• Molecular Weight: 967.12 g/mol
• Exact Mass: 966.40
• IUPAC Name: [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC(O)COc1ccc(C(c2ccc(OC)cc2)c2ccc(C(c3ccc(OCC(O)COC(=O)C(=C)C)cc3)c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C61H58O11/c1-39(2)60(65)70-37-50(62)35-68-53-27-17-45(18-28-53)57(44-15-25-52(67-6)26-16-44)42-11-13-43(14-12-42)58(46-19-29-54(30-20-46)69-36-51(63)38-71-61(66)40(3)4)47-21-31-55(32-22-47)72-56-33-23-49(24-34-56)59(64)48-9-7-41(5)8-10-48/h7-34,50-51,57-58,62-63H,1,3,35-38H2,2,4-6H3
• InChIKey: DFFORHGRHQITLH-UHFFFAOYSA-N
• XLogP: 11.11
• TPSA: 147.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 23
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.12
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate?

The IUPAC name of [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate (CID 155617136) is [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate.

What is the SMILES notation for [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate?

The canonical SMILES for [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COc1ccc(C(c2ccc(OC)cc2)c2ccc(C(c3ccc(OCC(O)COC(=O)C(=C)C)cc3)c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate?

The InChIKey is DFFORHGRHQITLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H58O11/c1-39(2)60(65)70-37-50(62)35-68-53-27-17-45(18-28-53)57(44-15-25-52(67-6)26-16-44)42-11-13-43(14-12-42)58(46-19-29-54(30-20-46)69-36-51(63)38-71-61(66)40(3)4)47-21-31-55(32-22-47)72-56-33-23-49(24-34-56)59(64)48-9-7-41(5)8-10-48/h7-34,50-51,57-58,62-63H,1,3,35-38H2,2,4-6H3.

What are the key properties of [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate?

[2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate has a molecular weight of 967.12 g/mol, XLogP of 11.11, 23 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-hydroxy-3-[4-[[4-[[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenyl]-(4-methoxyphenyl)methyl]phenoxy]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 155617136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).