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

C19H21NO6 — CID 50905584

IUPAC4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H21NO6/c1-23-15-6-5-11(7-14(15)21)13-10-18(22)20(13)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-9,13,21H,10H2,1-4H3
InChIKeyCZLTUGLGNAYFFF-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.90
Rot. Bonds6

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

4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 50905584) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID50905584
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(C2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H21NO6/c1-23-15-6-5-11(7-14(15)21)13-10-18(22)20(13)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-9,13,21H,10H2,1-4H3
InChIKeyCZLTUGLGNAYFFF-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 50905584) is 4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc(C2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is CZLTUGLGNAYFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-23-15-6-5-11(7-14(15)21)13-10-18(22)20(13)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-9,13,21H,10H2,1-4H3.
What are the key properties of 4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
4-(3-hydroxy-4-methoxyphenyl)-1-(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 4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 50905584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).