1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one

C26H26FNO6 — CID 2953383

IUPAC1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(Cc3ccc(F)cc3)C2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C26H26FNO6/c1-30-19-9-11-20(12-10-19)34-25-23(17-13-21(31-2)24(33-4)22(14-17)32-3)28(26(25)29)15-16-5-7-18(27)8-6-16/h5-14,23,25H,15H2,1-4H3
InChIKeyOYFLOFYTGNQJKM-UHFFFAOYSA-N
MW467.49 g/mol
LogP4.39
Rot. Bonds9

About 1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one

1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 2953383) has the molecular formula C26H26FNO6 and a molecular weight of 467.49 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID2953383
Molecular FormulaC26H26FNO6
Molecular Weight467.49 g/mol
Exact Mass467.17
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(Cc3ccc(F)cc3)C2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C26H26FNO6/c1-30-19-9-11-20(12-10-19)34-25-23(17-13-21(31-2)24(33-4)22(14-17)32-3)28(26(25)29)15-16-5-7-18(27)8-6-16/h5-14,23,25H,15H2,1-4H3
InChIKeyOYFLOFYTGNQJKM-UHFFFAOYSA-N
XLogP4.39
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 2953383) is 1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc(OC2C(=O)N(Cc3ccc(F)cc3)C2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is OYFLOFYTGNQJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO6/c1-30-19-9-11-20(12-10-19)34-25-23(17-13-21(31-2)24(33-4)22(14-17)32-3)28(26(25)29)15-16-5-7-18(27)8-6-16/h5-14,23,25H,15H2,1-4H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one?
1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 467.49 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenoxy)-4-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 2953383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).