(3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one

C31H28FNO3 — CID 42604774

IUPAC(3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](CCC(O)(c3ccccc3)c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C31H28FNO3/c1-36-27-18-12-22(13-19-27)29-28(30(34)33(29)26-16-14-25(32)15-17-26)20-21-31(35,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-19,28-29,35H,20-21H2,1H3/t28-,29-/m1/s1
InChIKeyMIHAVYOLAYILJU-FQLXRVMXSA-N
MW481.57 g/mol
LogP6.25
Rot. Bonds8

About (3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one

(3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one (PubChem CID 42604774) has the molecular formula C31H28FNO3 and a molecular weight of 481.57 g/mol. Its IUPAC name is (3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one
PubChem CID42604774
Molecular FormulaC31H28FNO3
Molecular Weight481.57 g/mol
Exact Mass481.21
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](CCC(O)(c3ccccc3)c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C31H28FNO3/c1-36-27-18-12-22(13-19-27)29-28(30(34)33(29)26-16-14-25(32)15-17-26)20-21-31(35,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-19,28-29,35H,20-21H2,1H3/t28-,29-/m1/s1
InChIKeyMIHAVYOLAYILJU-FQLXRVMXSA-N
XLogP6.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.57
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)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

Related Compounds

Ezetimibe
CID 150311
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
CID 4979942
3,3-Difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 5017692
(3S,4R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
CID 44450418
trans-1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
CID 6710700
Sch 48461
CID 132832
(3S,4R)-1,4-bis(4-hydroxyphenyl)-3-phenylazetidin-2-one
CID 118724548
(4S)-1,4-bis(4-hydroxyphenyl)-3,3-diphenylazetidin-2-one
CID 118724552
4-(4-Methoxyphenyl)-3-(morpholinomethyl)-1-phenyl-2-azetanone
CID 4322480
Hyzetimibe
CID 50923862
(3S,4S)-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10318874
(3S,4R)-1-(4-Methoxy-phenyl)-3,4-diphenyl-3-phenylacetyl-azetidin-2-one
CID 10411341

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one (CID 42604774) is (3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one is COc1ccc([C@@H]2[C@@H](CCC(O)(c3ccccc3)c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of (3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is MIHAVYOLAYILJU-FQLXRVMXSA-N. The full InChI is InChI=1S/C31H28FNO3/c1-36-27-18-12-22(13-19-27)29-28(30(34)33(29)26-16-14-25(32)15-17-26)20-21-31(35,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-19,28-29,35H,20-21H2,1H3/t28-,29-/m1/s1.
What are the key properties of (3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one?
(3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 481.57 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-fluorophenyl)-3-(3-hydroxy-3,3-diphenylpropyl)-4-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 42604774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).