1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one

C19H21NO6 — CID 53319908

IUPAC1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)CC2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H21NO6/c1-23-15-6-5-12(9-14(15)21)20-13(10-18(20)22)11-7-16(24-2)19(26-4)17(8-11)25-3/h5-9,13,21H,10H2,1-4H3
InChIKeyHLADNFOZBQSLIV-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.90
Rot. Bonds6

About 1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one

1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 53319908) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID53319908
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)CC2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H21NO6/c1-23-15-6-5-12(9-14(15)21)20-13(10-18(20)22)11-7-16(24-2)19(26-4)17(8-11)25-3/h5-9,13,21H,10H2,1-4H3
InChIKeyHLADNFOZBQSLIV-UHFFFAOYSA-N
XLogP2.90
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
4-(3-Hydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-one
CID 44335080
(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
4-(3-Amino-4-methoxyphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 10022279
(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

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 53319908) is 1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)CC2c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is HLADNFOZBQSLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-23-15-6-5-12(9-14(15)21)20-13(10-18(20)22)11-7-16(24-2)19(26-4)17(8-11)25-3/h5-9,13,21H,10H2,1-4H3.
What are the key properties of 1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 359.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 53319908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).