1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol

C26H29F2NO3 — CID 142157318

IUPAC1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol
SMILESCC1CC(=O)N1c1ccc(F)cc1.CCC(O)c1ccc(F)cc1.Cc1ccc(O)cc1
InChIInChI=1S/C10H10FNO.C9H11FO.C7H8O/c1-7-6-10(13)12(7)9-4-2-8(11)3-5-9;1-2-9(11)7-3-5-8(10)6-4-7;1-6-2-4-7(8)5-3-6/h2-5,7H,6H2,1H3;3-6,9,11H,2H2,1H3;2-5,8H,1H3
InChIKeyZBLSYKKYCOFQPR-UHFFFAOYSA-N
MW441.52 g/mol
LogP5.92
Rot. Bonds3

About 1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol

1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol (PubChem CID 142157318) has the molecular formula C26H29F2NO3 and a molecular weight of 441.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol
PubChem CID142157318
Molecular FormulaC26H29F2NO3
Molecular Weight441.52 g/mol
Exact Mass441.21
IUPAC Name1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol
SMILESCC1CC(=O)N1c1ccc(F)cc1.CCC(O)c1ccc(F)cc1.Cc1ccc(O)cc1
InChIInChI=1S/C10H10FNO.C9H11FO.C7H8O/c1-7-6-10(13)12(7)9-4-2-8(11)3-5-9;1-2-9(11)7-3-5-8(10)6-4-7;1-6-2-4-7(8)5-3-6/h2-5,7H,6H2,1H3;3-6,9,11H,2H2,1H3;2-5,8H,1H3
InChIKeyZBLSYKKYCOFQPR-UHFFFAOYSA-N
XLogP5.92
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.52
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;(1S)-1-(4-fluorophenyl)propan-1-ol
CID 143251553
(1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane
CID 143439196
1-(4-fluorophenyl)propan-1-ol;[4-[2-(4-methylphenyl)-4-oxoazetidin-1-yl]phenyl] trifluoromethanesulfonate
CID 143669022
1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143721518
1,4-bis[4-[3,4-dihydroxy-3-(hydroxymethyl)butyl]phenyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143721615
1-(4-hydroxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 143669012
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one
CID 145351703
(4S,5S)-5-(2,4-dihydroxyphenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-phenylphenyl)pyrrolidin-2-one
CID 71103913
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione
CID 51075561
(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)azetidin-2-one
CID 11101767
(4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)azetidin-2-one
CID 71316703

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol?
The IUPAC name of 1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol (CID 142157318) is 1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol?
The canonical SMILES for 1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol is CC1CC(=O)N1c1ccc(F)cc1.CCC(O)c1ccc(F)cc1.Cc1ccc(O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol?
The InChIKey is ZBLSYKKYCOFQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO.C9H11FO.C7H8O/c1-7-6-10(13)12(7)9-4-2-8(11)3-5-9;1-2-9(11)7-3-5-8(10)6-4-7;1-6-2-4-7(8)5-3-6/h2-5,7H,6H2,1H3;3-6,9,11H,2H2,1H3;2-5,8H,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol?
1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol has a molecular weight of 441.52 g/mol, XLogP of 5.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol is sourced from PubChem (CID 142157318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).