5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one

C22H27NO4 — CID 19594647

IUPAC5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one
SMILESCCN(CC)CCCOc1cccc2c1-c1c(OC)cc(OC)cc1C2=O
InChIInChI=1S/C22H27NO4/c1-5-23(6-2)11-8-12-27-18-10-7-9-16-20(18)21-17(22(16)24)13-15(25-3)14-19(21)26-4/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3
InChIKeyIOWMKJVFVAYNAD-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.03
Rot. Bonds9

About 5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one

5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one (PubChem CID 19594647) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one.

Molecular Properties

Compound Name5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one
PubChem CID19594647
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one
SMILESCCN(CC)CCCOc1cccc2c1-c1c(OC)cc(OC)cc1C2=O
InChIInChI=1S/C22H27NO4/c1-5-23(6-2)11-8-12-27-18-10-7-9-16-20(18)21-17(22(16)24)13-15(25-3)14-19(21)26-4/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3
InChIKeyIOWMKJVFVAYNAD-UHFFFAOYSA-N
XLogP4.03
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.03
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 5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one?
The IUPAC name of 5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one (CID 19594647) is 5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one.
What is the SMILES notation for 5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one?
The canonical SMILES for 5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one is CCN(CC)CCCOc1cccc2c1-c1c(OC)cc(OC)cc1C2=O.
What is the InChIKey of 5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one?
The InChIKey is IOWMKJVFVAYNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-23(6-2)11-8-12-27-18-10-7-9-16-20(18)21-17(22(16)24)13-15(25-3)14-19(21)26-4/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3.
What are the key properties of 5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one?
5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one has a molecular weight of 369.46 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)propoxy]-2,4-dimethoxyfluoren-9-one is sourced from PubChem (CID 19594647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).