[4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol

C48H62O11 — CID 142271886

About [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol

[4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol (PubChem CID 142271886) has the molecular formula C48H62O11 and a molecular weight of 815.01 g/mol. Its IUPAC name is [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol.

Molecular Properties

• Compound Name: [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol
• PubChem CID: 142271886
• Molecular Formula: C48H62O11
• Molecular Weight: 815.01 g/mol
• Exact Mass: 814.43
• IUPAC Name: [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol
• SMILES: CC(CC(C)(C)Oc1ccc(C(C)(C)c2ccc(OCC(O)COC(C)(C)c3ccc(C(C)(C)c4ccc(OCC5COC(=O)O5)cc4)cc3)cc2)cc1)OC=O.CO
• InChI: InChI=1S/C47H58O10.CH4O/c1-32(54-31-48)26-44(2,3)57-41-24-18-36(19-25-41)46(6,7)35-14-20-39(21-15-35)51-27-38(49)28-55-47(8,9)37-12-10-33(11-13-37)45(4,5)34-16-22-40(23-17-34)52-29-42-30-53-43(50)56-42;1-2/h10-25,31-32,38,42,49H,26-30H2,1-9H3;2H,1H3
• InChIKey: CLFUWKBJBNCGBM-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 139.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	815.01
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol?

The IUPAC name of [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol (CID 142271886) is [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol.

What is the SMILES notation for [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol?

The canonical SMILES for [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol is CC(CC(C)(C)Oc1ccc(C(C)(C)c2ccc(OCC(O)COC(C)(C)c3ccc(C(C)(C)c4ccc(OCC5COC(=O)O5)cc4)cc3)cc2)cc1)OC=O.CO.

What is the InChIKey of [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol?

The InChIKey is CLFUWKBJBNCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H58O10.CH4O/c1-32(54-31-48)26-44(2,3)57-41-24-18-36(19-25-41)46(6,7)35-14-20-39(21-15-35)51-27-38(49)28-55-47(8,9)37-12-10-33(11-13-37)45(4,5)34-16-22-40(23-17-34)52-29-42-30-53-43(50)56-42;1-2/h10-25,31-32,38,42,49H,26-30H2,1-9H3;2H,1H3.

What are the key properties of [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol?

[4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol has a molecular weight of 815.01 g/mol, XLogP of 8.66, 20 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[2-[4-[2-hydroxy-3-[2-[4-[2-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]propan-2-yl]phenyl]propan-2-yloxy]propoxy]phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-yl] formate;methanol is sourced from PubChem (CID 142271886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).