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

C38H38O6 — CID 161011342

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

ethenol;1-phenoxy-3-[4-[1-[4-(phenoxymethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol (PubChem CID 161011342) has the molecular formula C38H38O6 and a molecular weight of 590.72 g/mol. Its IUPAC name is ethenol;1-phenoxy-3-[4-[1-[4-(phenoxymethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: ethenol;1-phenoxy-3-[4-[1-[4-(phenoxymethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol
• PubChem CID: 161011342
• Molecular Formula: C38H38O6
• Molecular Weight: 590.72 g/mol
• Exact Mass: 590.27
• IUPAC Name: ethenol;1-phenoxy-3-[4-[1-[4-(phenoxymethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol
• SMILES: C=CO.CC(c1ccccc1)(c1ccc(OCOc2ccccc2)cc1)c1ccc(OCC(O)COc2ccccc2)cc1
• InChI: InChI=1S/C36H34O5.C2H4O/c1-36(28-11-5-2-6-12-28,30-19-23-35(24-20-30)41-27-40-33-15-9-4-10-16-33)29-17-21-34(22-18-29)39-26-31(37)25-38-32-13-7-3-8-14-32;1-2-3/h2-24,31,37H,25-27H2,1H3;2-3H,1H2
• InChIKey: TXDSTRUYMUEYTI-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.72
LogP ≤ 5	7.96
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of ethenol;1-phenoxy-3-[4-[1-[4-(phenoxymethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol (CID 161011342) is ethenol;1-phenoxy-3-[4-[1-[4-(phenoxymethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol.

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

The canonical SMILES for ethenol;1-phenoxy-3-[4-[1-[4-(phenoxymethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol is C=CO.CC(c1ccccc1)(c1ccc(OCOc2ccccc2)cc1)c1ccc(OCC(O)COc2ccccc2)cc1.

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

The InChIKey is TXDSTRUYMUEYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O5.C2H4O/c1-36(28-11-5-2-6-12-28,30-19-23-35(24-20-30)41-27-40-33-15-9-4-10-16-33)29-17-21-34(22-18-29)39-26-31(37)25-38-32-13-7-3-8-14-32;1-2-3/h2-24,31,37H,25-27H2,1H3;2-3H,1H2.

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

ethenol;1-phenoxy-3-[4-[1-[4-(phenoxymethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol has a molecular weight of 590.72 g/mol, XLogP of 7.96, 13 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-[1-[4-(phenoxymethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 161011342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).