2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane

C₂₉H₂₆O₂ — CID 172692442

About 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane

2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane (PubChem CID 172692442) has the molecular formula C₂₉H₂₆O₂ and a molecular weight of 406.52 g/mol. Its IUPAC name is 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane.

Molecular Properties

• Compound Name: 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane
• PubChem CID: 172692442
• Molecular Formula: C₂₉H₂₆O₂
• Molecular Weight: 406.52 g/mol
• Exact Mass: 406.19
• IUPAC Name: 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane
• SMILES: c1ccc2c(c1)Cc1c-2cccc1-c1c(CCCOCC2CO2)ccc2ccccc12
• InChI: InChI=1S/C29H26O2/c1-4-11-25-20(7-1)14-15-21(9-6-16-30-18-23-19-31-23)29(25)27-13-5-12-26-24-10-3-2-8-22(24)17-28(26)27/h1-5,7-8,10-15,23H,6,9,16-19H2
• InChIKey: BWAUDRYHSNKGNH-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.52
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane?

The IUPAC name of 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane (CID 172692442) is 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane.

What is the SMILES notation for 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane?

The canonical SMILES for 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane is c1ccc2c(c1)Cc1c-2cccc1-c1c(CCCOCC2CO2)ccc2ccccc12.

What is the InChIKey of 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane?

The InChIKey is BWAUDRYHSNKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O2/c1-4-11-25-20(7-1)14-15-21(9-6-16-30-18-23-19-31-23)29(25)27-13-5-12-26-24-10-3-2-8-22(24)17-28(26)27/h1-5,7-8,10-15,23H,6,9,16-19H2.

What are the key properties of 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane?

2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane has a molecular weight of 406.52 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane is sourced from PubChem (CID 172692442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 172692442 — identifiers, structure, computed properties (public domain)

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