4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one

C25H33NO4 — CID 19594662

IUPAC4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one
SMILESCCCCOc1cc(OCC)cc2c1-c1c(OCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C25H33NO4/c1-5-9-14-29-22-17-18(28-8-4)16-20-24(22)23-19(25(20)27)11-10-12-21(23)30-15-13-26(6-2)7-3/h10-12,16-17H,5-9,13-15H2,1-4H3
InChIKeyFOVMMMSQMQSFFT-UHFFFAOYSA-N
MW411.54 g/mol
LogP5.20
Rot. Bonds12

About 4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one

4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one (PubChem CID 19594662) has the molecular formula C25H33NO4 and a molecular weight of 411.54 g/mol. Its IUPAC name is 4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one.

Molecular Properties

Compound Name4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one
PubChem CID19594662
Molecular FormulaC25H33NO4
Molecular Weight411.54 g/mol
Exact Mass411.24
IUPAC Name4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one
SMILESCCCCOc1cc(OCC)cc2c1-c1c(OCCN(CC)CC)cccc1C2=O
InChIInChI=1S/C25H33NO4/c1-5-9-14-29-22-17-18(28-8-4)16-20-24(22)23-19(25(20)27)11-10-12-21(23)30-15-13-26(6-2)7-3/h10-12,16-17H,5-9,13-15H2,1-4H3
InChIKeyFOVMMMSQMQSFFT-UHFFFAOYSA-N
XLogP5.20
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.54
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one?
The IUPAC name of 4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one (CID 19594662) is 4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one.
What is the SMILES notation for 4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one?
The canonical SMILES for 4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one is CCCCOc1cc(OCC)cc2c1-c1c(OCCN(CC)CC)cccc1C2=O.
What is the InChIKey of 4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one?
The InChIKey is FOVMMMSQMQSFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO4/c1-5-9-14-29-22-17-18(28-8-4)16-20-24(22)23-19(25(20)27)11-10-12-21(23)30-15-13-26(6-2)7-3/h10-12,16-17H,5-9,13-15H2,1-4H3.
What are the key properties of 4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one?
4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one has a molecular weight of 411.54 g/mol, XLogP of 5.20, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one is sourced from PubChem (CID 19594662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).