2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal

C58H52O9 — CID 126609971

About 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal

2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal (PubChem CID 126609971) has the molecular formula C58H52O9 and a molecular weight of 893.05 g/mol. Its IUPAC name is 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal.

Molecular Properties

• Compound Name: 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal
• PubChem CID: 126609971
• Molecular Formula: C58H52O9
• Molecular Weight: 893.05 g/mol
• Exact Mass: 892.36
• IUPAC Name: 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal
• SMILES: CC(C=O)c1ccccc1OCc1ccccc1OCc1ccccc1OCc1ccccc1OCc1ccccc1OCc1ccccc1OCc1ccccc1OCc1ccccc1O
• InChI: InChI=1S/C58H52O9/c1-42(34-59)50-25-9-17-33-58(50)67-41-49-24-8-16-32-57(49)66-40-48-23-7-15-31-56(48)65-39-47-22-6-14-30-55(47)64-38-46-21-5-13-29-54(46)63-37-45-20-4-12-28-53(45)62-36-44-19-3-11-27-52(44)61-35-43-18-2-10-26-51(43)60/h2-34,42,60H,35-41H2,1H3
• InChIKey: LWBOFKDEPXYZLE-UHFFFAOYSA-N
• XLogP: 12.75
• TPSA: 101.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.05
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal?

The IUPAC name of 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal (CID 126609971) is 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal.

What is the SMILES notation for 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal?

The canonical SMILES for 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal is CC(C=O)c1ccccc1OCc1ccccc1OCc1ccccc1OCc1ccccc1OCc1ccccc1OCc1ccccc1OCc1ccccc1OCc1ccccc1O.

What is the InChIKey of 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal?

The InChIKey is LWBOFKDEPXYZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52O9/c1-42(34-59)50-25-9-17-33-58(50)67-41-49-24-8-16-32-57(49)66-40-48-23-7-15-31-56(48)65-39-47-22-6-14-30-55(47)64-38-46-21-5-13-29-54(46)63-37-45-20-4-12-28-53(45)62-36-44-19-3-11-27-52(44)61-35-43-18-2-10-26-51(43)60/h2-34,42,60H,35-41H2,1H3.

What are the key properties of 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal?

2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal has a molecular weight of 893.05 g/mol, XLogP of 12.75, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]propanal is sourced from PubChem (CID 126609971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).