2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane

C28H24O3 — CID 172716035

IUPAC2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane
SMILESc1ccc2c(c1)Cc1c-2cccc1-c1ccc(OCCOCC2CO2)c2ccccc12
InChIInChI=1S/C28H24O3/c1-2-7-21-19(6-1)16-27-22(21)10-5-11-24(27)25-12-13-28(26-9-4-3-8-23(25)26)30-15-14-29-17-20-18-31-20/h1-13,20H,14-18H2
InChIKeyFWJOEABUHGLANW-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.87
Rot. Bonds7

About 2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane

2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane (PubChem CID 172716035) has the molecular formula C28H24O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane
PubChem CID172716035
Molecular FormulaC28H24O3
Molecular Weight408.50 g/mol
Exact Mass408.17
IUPAC Name2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane
SMILESc1ccc2c(c1)Cc1c-2cccc1-c1ccc(OCCOCC2CO2)c2ccccc12
InChIInChI=1S/C28H24O3/c1-2-7-21-19(6-1)16-27-22(21)10-5-11-24(27)25-12-13-28(26-9-4-3-8-23(25)26)30-15-14-29-17-20-18-31-20/h1-13,20H,14-18H2
InChIKeyFWJOEABUHGLANW-UHFFFAOYSA-N
XLogP5.87
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[2-[2-methyl-4-[1-[3-methyl-4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]-9H-fluoren-2-yl]phenoxy]ethoxymethyl]oxirane
CID 161234514
2-[3-[1-(9H-fluoren-1-yl)naphthalen-2-yl]propoxymethyl]oxirane
CID 172692442
2-[2-(5-fluoronaphthalen-1-yl)oxyethoxymethyl]oxirane
CID 155190944
2-[2-[4-[1-[4-[2-(oxiran-2-ylmethoxy)ethoxy]naphthalen-1-yl]-2,3-dihydroinden-1-yl]naphthalen-1-yl]oxyethoxymethyl]oxirane
CID 142441288
2-[2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethoxymethyl]thiirane
CID 170317959
2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
CID 13013247
diethoxy-(9H-fluoren-1-yl)-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 151390772
2-[[4-[1-[4-(oxiran-2-ylmethoxy)-3-phenylphenyl]-9H-fluoren-2-yl]-2-phenylphenoxy]methyl]oxirane
CID 158524809
1,2-dibutoxy-9H-fluorene;9H-fluorene
CID 158569964
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-[3-(1,2,3-trimethoxy-9H-fluoren-4-yl)propoxymethyl]oxirane
CID 151101290

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane?
The IUPAC name of 2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane (CID 172716035) is 2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane.
What is the SMILES notation for 2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane?
The canonical SMILES for 2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane is c1ccc2c(c1)Cc1c-2cccc1-c1ccc(OCCOCC2CO2)c2ccccc12.
What is the InChIKey of 2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane?
The InChIKey is FWJOEABUHGLANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O3/c1-2-7-21-19(6-1)16-27-22(21)10-5-11-24(27)25-12-13-28(26-9-4-3-8-23(25)26)30-15-14-29-17-20-18-31-20/h1-13,20H,14-18H2.
What are the key properties of 2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane?
2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane has a molecular weight of 408.50 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(9H-fluoren-1-yl)naphthalen-1-yl]oxyethoxymethyl]oxirane is sourced from PubChem (CID 172716035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).