(3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one

C24H23NO2 — CID 59733906

IUPAC(3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one
SMILESO=C1[C@H](CC[C@H](O)c2ccccc2)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C24H23NO2/c26-22(18-10-4-1-5-11-18)17-16-21-23(19-12-6-2-7-13-19)25(24(21)27)20-14-8-3-9-15-20/h1-15,21-23,26H,16-17H2/t21-,22+,23?/m1/s1
InChIKeyPRHFAHPUPSOPID-AXWGZAFASA-N
MW357.45 g/mol
LogP4.90
Rot. Bonds6

About (3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one

(3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one (PubChem CID 59733906) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one
PubChem CID59733906
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one
SMILESO=C1[C@H](CC[C@H](O)c2ccccc2)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C24H23NO2/c26-22(18-10-4-1-5-11-18)17-16-21-23(19-12-6-2-7-13-19)25(24(21)27)20-14-8-3-9-15-20/h1-15,21-23,26H,16-17H2/t21-,22+,23?/m1/s1
InChIKeyPRHFAHPUPSOPID-AXWGZAFASA-N
XLogP4.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one?
The IUPAC name of (3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one (CID 59733906) is (3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one.
What is the SMILES notation for (3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one?
The canonical SMILES for (3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one is O=C1[C@H](CC[C@H](O)c2ccccc2)C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of (3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one?
The InChIKey is PRHFAHPUPSOPID-AXWGZAFASA-N. The full InChI is InChI=1S/C24H23NO2/c26-22(18-10-4-1-5-11-18)17-16-21-23(19-12-6-2-7-13-19)25(24(21)27)20-14-8-3-9-15-20/h1-15,21-23,26H,16-17H2/t21-,22+,23?/m1/s1.
What are the key properties of (3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one?
(3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one has a molecular weight of 357.45 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-diphenylazetidin-2-one is sourced from PubChem (CID 59733906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).