4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one

C21H25NO3 — CID 154145524

IUPAC4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one
SMILESCCC(CC)NCC(O)COc1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C21H25NO3/c1-3-14(4-2)22-12-15(23)13-25-19-11-7-10-18-20(19)16-8-5-6-9-17(16)21(18)24/h5-11,14-15,22-23H,3-4,12-13H2,1-2H3
InChIKeyFBXZJJPLAFLWKP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.42
Rot. Bonds8

About 4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one

4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one (PubChem CID 154145524) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one.

Molecular Properties

Compound Name4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one
PubChem CID154145524
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one
SMILESCCC(CC)NCC(O)COc1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C21H25NO3/c1-3-14(4-2)22-12-15(23)13-25-19-11-7-10-18-20(19)16-8-5-6-9-17(16)21(18)24/h5-11,14-15,22-23H,3-4,12-13H2,1-2H3
InChIKeyFBXZJJPLAFLWKP-UHFFFAOYSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
1-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]anthracene-9,10-dione
CID 97356918
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one
CID 154099548
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635112
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one
CID 14501069
methyl (9-oxofluoren-4-yl) carbonate
CID 67416838
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one?
The IUPAC name of 4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one (CID 154145524) is 4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one.
What is the SMILES notation for 4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one?
The canonical SMILES for 4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one is CCC(CC)NCC(O)COc1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of 4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one?
The InChIKey is FBXZJJPLAFLWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-14(4-2)22-12-15(23)13-25-19-11-7-10-18-20(19)16-8-5-6-9-17(16)21(18)24/h5-11,14-15,22-23H,3-4,12-13H2,1-2H3.
What are the key properties of 4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one?
4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one has a molecular weight of 339.44 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]fluoren-9-one is sourced from PubChem (CID 154145524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).