4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one

C26H26ClNO5 — CID 2950782

IUPAC4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(CCc3ccc(OC)c(OC)c3)C2c2ccccc2Cl)cc1
InChIInChI=1S/C26H26ClNO5/c1-30-18-9-11-19(12-10-18)33-25-24(20-6-4-5-7-21(20)27)28(26(25)29)15-14-17-8-13-22(31-2)23(16-17)32-3/h4-13,16,24-25H,14-15H2,1-3H3
InChIKeyFQICLGMYAZMFRV-UHFFFAOYSA-N
MW467.95 g/mol
LogP4.94
Rot. Bonds9

About 4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one

4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one (PubChem CID 2950782) has the molecular formula C26H26ClNO5 and a molecular weight of 467.95 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one
PubChem CID2950782
Molecular FormulaC26H26ClNO5
Molecular Weight467.95 g/mol
Exact Mass467.15
IUPAC Name4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one
SMILESCOc1ccc(OC2C(=O)N(CCc3ccc(OC)c(OC)c3)C2c2ccccc2Cl)cc1
InChIInChI=1S/C26H26ClNO5/c1-30-18-9-11-19(12-10-18)33-25-24(20-6-4-5-7-21(20)27)28(26(25)29)15-14-17-8-13-22(31-2)23(16-17)32-3/h4-13,16,24-25H,14-15H2,1-3H3
InChIKeyFQICLGMYAZMFRV-UHFFFAOYSA-N
XLogP4.94
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.95
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one?
The IUPAC name of 4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one (CID 2950782) is 4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one?
The canonical SMILES for 4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one is COc1ccc(OC2C(=O)N(CCc3ccc(OC)c(OC)c3)C2c2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one?
The InChIKey is FQICLGMYAZMFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClNO5/c1-30-18-9-11-19(12-10-18)33-25-24(20-6-4-5-7-21(20)27)28(26(25)29)15-14-17-8-13-22(31-2)23(16-17)32-3/h4-13,16,24-25H,14-15H2,1-3H3.
What are the key properties of 4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one?
4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one has a molecular weight of 467.95 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)azetidin-2-one is sourced from PubChem (CID 2950782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).