9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene

C20H24O3 — CID 18976944

IUPAC9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene
SMILESCOC(C)OC(C)OC(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H24O3/c1-13(22-15(3)23-14(2)21-4)20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-15,20H,1-4H3
InChIKeyYKNURFFAEAYKOJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.56
Rot. Bonds6

About 9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene

9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene (PubChem CID 18976944) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene.

Molecular Properties

Compound Name9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene
PubChem CID18976944
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene
SMILESCOC(C)OC(C)OC(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H24O3/c1-13(22-15(3)23-14(2)21-4)20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-15,20H,1-4H3
InChIKeyYKNURFFAEAYKOJ-UHFFFAOYSA-N
XLogP4.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene?
The IUPAC name of 9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene (CID 18976944) is 9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene.
What is the SMILES notation for 9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene?
The canonical SMILES for 9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene is COC(C)OC(C)OC(C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene?
The InChIKey is YKNURFFAEAYKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-13(22-15(3)23-14(2)21-4)20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-15,20H,1-4H3.
What are the key properties of 9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene?
9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene has a molecular weight of 312.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-9H-fluorene is sourced from PubChem (CID 18976944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).