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

C24H29NO4 — CID 19594644

IUPAC4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one
SMILESCCCOc1cc(OCC)c2c(c1)C(=O)c1cccc(OC(C)C3CCCN3)c1-2
InChIInChI=1S/C24H29NO4/c1-4-12-28-16-13-18-23(21(14-16)27-5-2)22-17(24(18)26)8-6-10-20(22)29-15(3)19-9-7-11-25-19/h6,8,10,13-15,19,25H,4-5,7,9,11-12H2,1-3H3
InChIKeyUDOJYFYHAVHCOT-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.60
Rot. Bonds8

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

4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one (PubChem CID 19594644) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one.

Molecular Properties

Compound Name4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one
PubChem CID19594644
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one
SMILESCCCOc1cc(OCC)c2c(c1)C(=O)c1cccc(OC(C)C3CCCN3)c1-2
InChIInChI=1S/C24H29NO4/c1-4-12-28-16-13-18-23(21(14-16)27-5-2)22-17(24(18)26)8-6-10-20(22)29-15(3)19-9-7-11-25-19/h6,8,10,13-15,19,25H,4-5,7,9,11-12H2,1-3H3
InChIKeyUDOJYFYHAVHCOT-UHFFFAOYSA-N
XLogP4.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-bis[[(3R)-pyrrolidin-3-yl]oxy]fluoren-9-one
CID 57401544
2,7-Bis[2-(propylamino)ethoxy]fluoren-9-one
CID 57439308
2,7-Bis[2-(butylamino)ethoxy]fluoren-9-one
CID 71698868
2,7-Bis[2-(propan-2-ylamino)ethoxy]fluoren-9-one
CID 71698867
7-[2-(Cyclohexylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 155521079
7-[2-(Cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 155534883
1-[6-[2-(Cyclopentylamino)ethoxy]-7-[3-(4-fluorophenyl)butoxy]-4-methyl-2,3-dihydro-1-benzofuran-5-yl]ethanone
CID 24764474
2-(3,5-Dihydroxyphenyl)-4,6-dihydroxy-3-(4-(2-(pyrrolidin-1-yl)ethoxy)-phenyl)-2,3-dihydro-1h-inden-1-one
CID 138377420
2-(3,5-Dihydroxyphenyl)-4,6-dihydroxy-3-(4-(2-(2-methylpiperidin-1-yl)-ethoxy)phenyl)-2,3-dihydro-1h-inden-1-one
CID 138377454
2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-3-(4-(2-(piperidin-1-yl)ethoxy)-phenyl)-2,3-dihydro-1h-inden-1-one
CID 138377487
2-(3,5-Dimethoxyphenyl)-4,6-dimethoxy-3-(4-(2-(4-methylpiperidin-1-yl)-ethoxy)phenyl)-2,3-dihydro-1h-inden-1-one
CID 138377495
1-[6-[2-(Cyclopentylamino)ethoxy]-7-[4-(4-fluorophenyl)butoxy]-4-methyl-2,3-dihydro-1-benzofuran-5-yl]ethanone
CID 24993583

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one?
The IUPAC name of 4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one (CID 19594644) is 4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one.
What is the SMILES notation for 4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one?
The canonical SMILES for 4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one is CCCOc1cc(OCC)c2c(c1)C(=O)c1cccc(OC(C)C3CCCN3)c1-2.
What is the InChIKey of 4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one?
The InChIKey is UDOJYFYHAVHCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-4-12-28-16-13-18-23(21(14-16)27-5-2)22-17(24(18)26)8-6-10-20(22)29-15(3)19-9-7-11-25-19/h6,8,10,13-15,19,25H,4-5,7,9,11-12H2,1-3H3.
What are the key properties of 4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one?
4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one has a molecular weight of 395.50 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-propoxy-5-(1-pyrrolidin-2-ylethoxy)fluoren-9-one is sourced from PubChem (CID 19594644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).