3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one

C25H25NO3 — CID 22460134

IUPAC3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
SMILESCOc1ccc(C2C(C(O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-29-21-15-13-19(14-16-21)24-23(22(27)17-12-18-8-4-2-5-9-18)25(28)26(24)20-10-6-3-7-11-20/h2-11,13-16,22-24,27H,12,17H2,1H3
InChIKeyJBUUXMRKJQWOHR-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.39
Rot. Bonds7

About 3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one

3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one (PubChem CID 22460134) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one.

Molecular Properties

Compound Name3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
PubChem CID22460134
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
SMILESCOc1ccc(C2C(C(O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-29-21-15-13-19(14-16-21)24-23(22(27)17-12-18-8-4-2-5-9-18)25(28)26(24)20-10-6-3-7-11-20/h2-11,13-16,22-24,27H,12,17H2,1H3
InChIKeyJBUUXMRKJQWOHR-UHFFFAOYSA-N
XLogP4.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69170299
(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one
CID 10691765
(3S,4S)-3-[(1S)-2-(4-fluorophenyl)sulfinyl-1-hydroxyethyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 67603218
(3R,4S)-3-[(S)-hydroxy(naphthalen-2-yl)methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 11258353
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373
(3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one
CID 10755410
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3S,4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(3S,4R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 159825691
(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 102159226
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10852860

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The IUPAC name of 3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one (CID 22460134) is 3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one.
What is the SMILES notation for 3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The canonical SMILES for 3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one is COc1ccc(C2C(C(O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
The InChIKey is JBUUXMRKJQWOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-29-21-15-13-19(14-16-21)24-23(22(27)17-12-18-8-4-2-5-9-18)25(28)26(24)20-10-6-3-7-11-20/h2-11,13-16,22-24,27H,12,17H2,1H3.
What are the key properties of 3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one?
3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one is sourced from PubChem (CID 22460134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).