2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one

C24H29NO3 — CID 67570590

IUPAC2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one
SMILESCCCCOc1ccc2c(c1OCCCN1CCCC1)C(=O)c1ccccc1-2
InChIInChI=1S/C24H29NO3/c1-2-3-16-27-21-12-11-19-18-9-4-5-10-20(18)23(26)22(19)24(21)28-17-8-15-25-13-6-7-14-25/h4-5,9-12H,2-3,6-8,13-17H2,1H3
InChIKeyRFNCBAZGDLVUPT-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.94
Rot. Bonds9

About 2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one

2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one (PubChem CID 67570590) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one.

Molecular Properties

Compound Name2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one
PubChem CID67570590
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one
SMILESCCCCOc1ccc2c(c1OCCCN1CCCC1)C(=O)c1ccccc1-2
InChIInChI=1S/C24H29NO3/c1-2-3-16-27-21-12-11-19-18-9-4-5-10-20(18)23(26)22(19)24(21)28-17-8-15-25-13-6-7-14-25/h4-5,9-12H,2-3,6-8,13-17H2,1H3
InChIKeyRFNCBAZGDLVUPT-UHFFFAOYSA-N
XLogP4.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-1-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 67569634
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517
1-amino-4-butoxy-2,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70191902
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1,2-diethoxyanthracene-9,10-dione
CID 71414980
1,5-bis(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 70189484
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine
CID 100673269
2-butoxy-5-[3-(diethylamino)propoxy]fluoren-9-one;2-butoxy-5-(2-pyrrolidin-1-ylethoxy)fluoren-9-one
CID 174391219
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
1,4-dibutoxynaphthalene
CID 22016411

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one?
The IUPAC name of 2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one (CID 67570590) is 2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one.
What is the SMILES notation for 2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one?
The canonical SMILES for 2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one is CCCCOc1ccc2c(c1OCCCN1CCCC1)C(=O)c1ccccc1-2.
What is the InChIKey of 2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one?
The InChIKey is RFNCBAZGDLVUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-2-3-16-27-21-12-11-19-18-9-4-5-10-20(18)23(26)22(19)24(21)28-17-8-15-25-13-6-7-14-25/h4-5,9-12H,2-3,6-8,13-17H2,1H3.
What are the key properties of 2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one?
2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one has a molecular weight of 379.50 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-(3-pyrrolidin-1-ylpropoxy)fluoren-9-one is sourced from PubChem (CID 67570590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).