(4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one

C18H17NO4 — CID 131974340

IUPAC(4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one
SMILESC=C1C(=O)N(c2cccc(OC)c2)[C@H]1c1ccc(OC)c(O)c1
InChIInChI=1S/C18H17NO4/c1-11-17(12-7-8-16(23-3)15(20)9-12)19(18(11)21)13-5-4-6-14(10-13)22-2/h4-10,17,20H,1H2,2-3H3/t17-/m1/s1
InChIKeyWQDBAAOOOBXLEH-QGZVFWFLSA-N
MW311.34 g/mol
LogP3.05
Rot. Bonds4

About (4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one

(4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one (PubChem CID 131974340) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one
PubChem CID131974340
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one
SMILESC=C1C(=O)N(c2cccc(OC)c2)[C@H]1c1ccc(OC)c(O)c1
InChIInChI=1S/C18H17NO4/c1-11-17(12-7-8-16(23-3)15(20)9-12)19(18(11)21)13-5-4-6-14(10-13)22-2/h4-10,17,20H,1H2,2-3H3/t17-/m1/s1
InChIKeyWQDBAAOOOBXLEH-QGZVFWFLSA-N
XLogP3.05
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-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

(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131953484
(3r,4r)-4-(4-Methoxy-3-Oxidanyl-Phenyl)-3-Methyl-1-(3,4,5-Trimethoxyphenyl)azetidin-2-One
CID 124222383
Tubulin inhibitor 42
CID 131953485
(3R,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50915196
(3S,4R)-3-(fluoromethyl)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 162669814
(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 46941177
4-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50905584
4-(3-Hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50905791
4-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50906007
4-(4-Methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)-azetidin-2-one
CID 50906008
4-(4-Methoxyphenyl)-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 50906009
1-(3-Hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 53319908

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one?
The IUPAC name of (4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one (CID 131974340) is (4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one.
What is the SMILES notation for (4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one?
The canonical SMILES for (4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one is C=C1C(=O)N(c2cccc(OC)c2)[C@H]1c1ccc(OC)c(O)c1.
What is the InChIKey of (4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one?
The InChIKey is WQDBAAOOOBXLEH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17NO4/c1-11-17(12-7-8-16(23-3)15(20)9-12)19(18(11)21)13-5-4-6-14(10-13)22-2/h4-10,17,20H,1H2,2-3H3/t17-/m1/s1.
What are the key properties of (4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one?
(4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one has a molecular weight of 311.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3-methoxyphenyl)-3-methylideneazetidin-2-one is sourced from PubChem (CID 131974340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).