1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one

C23H29NO3 — CID 143721519

IUPAC1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one
SMILESO=C1CC(c2ccc(CCCCO)cc2)N1c1ccc(CCCCO)cc1
InChIInChI=1S/C23H29NO3/c25-15-3-1-5-18-7-11-20(12-8-18)22-17-23(27)24(22)21-13-9-19(10-14-21)6-2-4-16-26/h7-14,22,25-26H,1-6,15-17H2
InChIKeyOLKZCVFWQPIWNP-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.79
Rot. Bonds10

About 1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one

1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one (PubChem CID 143721519) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one
PubChem CID143721519
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one
SMILESO=C1CC(c2ccc(CCCCO)cc2)N1c1ccc(CCCCO)cc1
InChIInChI=1S/C23H29NO3/c25-15-3-1-5-18-7-11-20(12-8-18)22-17-23(27)24(22)21-13-9-19(10-14-21)6-2-4-16-26/h7-14,22,25-26H,1-6,15-17H2
InChIKeyOLKZCVFWQPIWNP-UHFFFAOYSA-N
XLogP3.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143721518
1-(4-hydroxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 143669012
4-[4-[3,4-dihydroxy-3-(hydroxymethyl)butyl]phenyl]-1-[4-(4-methylsulfanylbutyl)phenyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143721504
1,4-bis[4-[3,4-dihydroxy-3-(hydroxymethyl)butyl]phenyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143721615
4-(4-bromophenyl)-1-phenylazetidin-2-one
CID 22142286
[4-[(4S)-2-oxo-4-(4-prop-2-enylphenyl)azetidin-1-yl]phenyl] trifluoromethanesulfonate
CID 143668979
2-[4-(3-hydroxypropyl)phenyl]-1,2-oxazolidin-3-one
CID 117315639
(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 10882566
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one
CID 145351703
[(1S)-1-(4-fluorophenyl)propyl] acetate;1-[4-[3-(methylsulfanylamino)propyl]phenyl]-4-[4-(1,2,3-trihydroxypropan-2-yl)phenyl]azetidin-2-one
CID 143721596
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
1-(4-fluorophenyl)propyl acetate;[1-hydroxy-2-(hydroxymethyl)-4-[4-[1-[4-[3-(methanesulfonamido)propyl]phenyl]-4-oxoazetidin-2-yl]phenyl]butan-2-yl] acetate
CID 145489903

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one?
The IUPAC name of 1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one (CID 143721519) is 1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one.
What is the SMILES notation for 1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one?
The canonical SMILES for 1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one is O=C1CC(c2ccc(CCCCO)cc2)N1c1ccc(CCCCO)cc1.
What is the InChIKey of 1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one?
The InChIKey is OLKZCVFWQPIWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c25-15-3-1-5-18-7-11-20(12-8-18)22-17-23(27)24(22)21-13-9-19(10-14-21)6-2-4-16-26/h7-14,22,25-26H,1-6,15-17H2.
What are the key properties of 1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one?
1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one has a molecular weight of 367.49 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one is sourced from PubChem (CID 143721519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).