[2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate

C47H54O10 — CID 156762586

About [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate (PubChem CID 156762586) has the molecular formula C47H54O10 and a molecular weight of 778.94 g/mol. Its IUPAC name is [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate
• PubChem CID: 156762586
• Molecular Formula: C47H54O10
• Molecular Weight: 778.94 g/mol
• Exact Mass: 778.37
• IUPAC Name: [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC(O)COCCOc1c(C)cc(C2(c3cc(C)c(OCCOCC(O)COC(=O)C(=C)C)c(C)c3)c3ccccc3-c3ccccc32)cc1C
• InChI: InChI=1S/C47H54O10/c1-29(2)45(50)56-27-37(48)25-52-17-19-54-43-31(5)21-35(22-32(43)6)47(41-15-11-9-13-39(41)40-14-10-12-16-42(40)47)36-23-33(7)44(34(8)24-36)55-20-18-53-26-38(49)28-57-46(51)30(3)4/h9-16,21-24,37-38,48-49H,1,3,17-20,25-28H2,2,4-8H3
• InChIKey: YKZLFRQDEAFXMY-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 129.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.94
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate?

The IUPAC name of [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate (CID 156762586) is [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate.

What is the SMILES notation for [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate?

The canonical SMILES for [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COCCOc1c(C)cc(C2(c3cc(C)c(OCCOCC(O)COC(=O)C(=C)C)c(C)c3)c3ccccc3-c3ccccc32)cc1C.

What is the InChIKey of [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate?

The InChIKey is YKZLFRQDEAFXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H54O10/c1-29(2)45(50)56-27-37(48)25-52-17-19-54-43-31(5)21-35(22-32(43)6)47(41-15-11-9-13-39(41)40-14-10-12-16-42(40)47)36-23-33(7)44(34(8)24-36)55-20-18-53-26-38(49)28-57-46(51)30(3)4/h9-16,21-24,37-38,48-49H,1,3,17-20,25-28H2,2,4-8H3.

What are the key properties of [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate?

[2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate has a molecular weight of 778.94 g/mol, XLogP of 7.03, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-hydroxy-3-[2-[4-[9-[4-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]-3,5-dimethylphenyl]fluoren-9-yl]-2,6-dimethylphenoxy]ethoxy]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 156762586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).