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

C29H26O2 — CID 172692442

IUPAC2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane
SMILESc1ccc2c(c1)Cc1c-2cccc1-c1c(CCCOCC2CO2)ccc2ccccc12
InChIInChI=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
InChIKeyBWAUDRYHSNKGNH-UHFFFAOYSA-N
MW406.52 g/mol
LogP6.43
Rot. Bonds7

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 Name2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane
PubChem CID172692442
Molecular FormulaC29H26O2
Molecular Weight406.52 g/mol
Exact Mass406.19
IUPAC Name2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane
SMILESc1ccc2c(c1)Cc1c-2cccc1-c1c(CCCOCC2CO2)ccc2ccccc12
InChIInChI=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
InChIKeyBWAUDRYHSNKGNH-UHFFFAOYSA-N
XLogP6.43
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).