ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol

C43H38O6 — CID 157218436

About ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol

ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol (PubChem CID 157218436) has the molecular formula C43H38O6 and a molecular weight of 650.77 g/mol. Its IUPAC name is ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol
• PubChem CID: 157218436
• Molecular Formula: C43H38O6
• Molecular Weight: 650.77 g/mol
• Exact Mass: 650.27
• IUPAC Name: ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol
• SMILES: C=CO.OC(COc1ccccc1)COc1ccc(C2(c3ccc(OCOc4ccccc4)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C41H34O5.C2H4O/c42-32(27-43-33-11-3-1-4-12-33)28-44-35-23-19-30(20-24-35)41(39-17-9-7-15-37(39)38-16-8-10-18-40(38)41)31-21-25-36(26-22-31)46-29-45-34-13-5-2-6-14-34;1-2-3/h1-26,32,42H,27-29H2;2-3H,1H2
• InChIKey: ASRQSDYZKXVVOU-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.77
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol?

The IUPAC name of ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol (CID 157218436) is ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol.

What is the SMILES notation for ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol?

The canonical SMILES for ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol is C=CO.OC(COc1ccccc1)COc1ccc(C2(c3ccc(OCOc4ccccc4)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol?

The InChIKey is ASRQSDYZKXVVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34O5.C2H4O/c42-32(27-43-33-11-3-1-4-12-33)28-44-35-23-19-30(20-24-35)41(39-17-9-7-15-37(39)38-16-8-10-18-40(38)41)31-21-25-36(26-22-31)46-29-45-34-13-5-2-6-14-34;1-2-3/h1-26,32,42H,27-29H2;2-3H,1H2.

What are the key properties of ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol?

ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol has a molecular weight of 650.77 g/mol, XLogP of 8.97, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethenol;1-phenoxy-3-[4-[9-[4-(phenoxymethoxy)phenyl]fluoren-9-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 157218436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).