(3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one

C24H23NO3 — CID 10785566

IUPAC(3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
SMILESO=C1[C@H](CCCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(O)cc1
InChIInChI=1S/C24H23NO3/c26-20-13-9-18(10-14-20)23-22(8-4-7-17-5-2-1-3-6-17)24(28)25(23)19-11-15-21(27)16-12-19/h1-3,5-6,9-16,22-23,26-27H,4,7-8H2/t22-,23-/m1/s1
InChIKeyFMPAFXJXSPTVDI-DHIUTWEWSA-N
MW373.45 g/mol
LogP4.82
Rot. Bonds6

About (3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one

(3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one (PubChem CID 10785566) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
PubChem CID10785566
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
SMILESO=C1[C@H](CCCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(O)cc1
InChIInChI=1S/C24H23NO3/c26-20-13-9-18(10-14-20)23-22(8-4-7-17-5-2-1-3-6-17)24(28)25(23)19-11-15-21(27)16-12-19/h1-3,5-6,9-16,22-23,26-27H,4,7-8H2/t22-,23-/m1/s1
InChIKeyFMPAFXJXSPTVDI-DHIUTWEWSA-N
XLogP4.82
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The IUPAC name of (3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one (CID 10785566) is (3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one is O=C1[C@H](CCCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(O)cc1.
What is the InChIKey of (3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
The InChIKey is FMPAFXJXSPTVDI-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H23NO3/c26-20-13-9-18(10-14-20)23-22(8-4-7-17-5-2-1-3-6-17)24(28)25(23)19-11-15-21(27)16-12-19/h1-3,5-6,9-16,22-23,26-27H,4,7-8H2/t22-,23-/m1/s1.
What are the key properties of (3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one?
(3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one has a molecular weight of 373.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one is sourced from PubChem (CID 10785566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).