4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one

C24H29NO4 — CID 70189465

IUPAC4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
SMILESCCCOc1cc(OCC)c2c(c1)C(=O)c1cccc(OCCN3CCCC3)c1-2
InChIInChI=1S/C24H29NO4/c1-3-13-28-17-15-19-23(21(16-17)27-4-2)22-18(24(19)26)8-7-9-20(22)29-14-12-25-10-5-6-11-25/h7-9,15-16H,3-6,10-14H2,1-2H3
InChIKeyFOFDEAFUFGDINO-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.56
Rot. Bonds9

About 4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one

4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one (PubChem CID 70189465) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one.

Molecular Properties

Compound Name4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
PubChem CID70189465
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
SMILESCCCOc1cc(OCC)c2c(c1)C(=O)c1cccc(OCCN3CCCC3)c1-2
InChIInChI=1S/C24H29NO4/c1-3-13-28-17-15-19-23(21(16-17)27-4-2)22-18(24(19)26)8-7-9-20(22)29-14-12-25-10-5-6-11-25/h7-9,15-16H,3-6,10-14H2,1-2H3
InChIKeyFOFDEAFUFGDINO-UHFFFAOYSA-N
XLogP4.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-5-(2-piperidin-1-ylethoxy)-4-propoxyfluoren-9-one;2-ethoxy-4-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 162165445
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
4-methoxy-5-(2-piperidin-1-ylethoxy)-2-propylfluoren-9-one
CID 174392258
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517
2-butoxy-5-[3-(diethylamino)propoxy]fluoren-9-one;2-butoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 174391219
1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189484
1-amino-4-butoxy-2,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70191902
4-butoxy-2,5-bis(2-pyrrolidin-2-ylethoxy)fluoren-9-one
CID 19594842
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one
CID 70191890
2,4-dimethoxy-5-(2-piperidin-1-ylethoxy)fluoren-9-one;2,4-dimethoxy-5-(1-piperidin-3-ylpropoxy)fluoren-9-one
CID 174405292
5-(2-piperidin-1-ylpropoxy)-2-propoxyfluoren-9-one
CID 70190893

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
The IUPAC name of 4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one (CID 70189465) is 4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one.
What is the SMILES notation for 4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
The canonical SMILES for 4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one is CCCOc1cc(OCC)c2c(c1)C(=O)c1cccc(OCCN3CCCC3)c1-2.
What is the InChIKey of 4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
The InChIKey is FOFDEAFUFGDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-3-13-28-17-15-19-23(21(16-17)27-4-2)22-18(24(19)26)8-7-9-20(22)29-14-12-25-10-5-6-11-25/h7-9,15-16H,3-6,10-14H2,1-2H3.
What are the key properties of 4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one?
4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one has a molecular weight of 395.50 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-propoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one is sourced from PubChem (CID 70189465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).