3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol

C20H24ClNO — CID 166343252

IUPAC3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol
SMILESCc1cc(C)c(C(C)N2CC(O)(c3ccc(Cl)cc3)C2)c(C)c1
InChIInChI=1S/C20H24ClNO/c1-13-9-14(2)19(15(3)10-13)16(4)22-11-20(23,12-22)17-5-7-18(21)8-6-17/h5-10,16,23H,11-12H2,1-4H3
InChIKeyQWNIRQGKWXLUFE-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.53
Rot. Bonds3

About 3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol

3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol (PubChem CID 166343252) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol
PubChem CID166343252
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol
SMILESCc1cc(C)c(C(C)N2CC(O)(c3ccc(Cl)cc3)C2)c(C)c1
InChIInChI=1S/C20H24ClNO/c1-13-9-14(2)19(15(3)10-13)16(4)22-11-20(23,12-22)17-5-7-18(21)8-6-17/h5-10,16,23H,11-12H2,1-4H3
InChIKeyQWNIRQGKWXLUFE-UHFFFAOYSA-N
XLogP4.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol?
The IUPAC name of 3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol (CID 166343252) is 3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol?
The canonical SMILES for 3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol is Cc1cc(C)c(C(C)N2CC(O)(c3ccc(Cl)cc3)C2)c(C)c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol?
The InChIKey is QWNIRQGKWXLUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-13-9-14(2)19(15(3)10-13)16(4)22-11-20(23,12-22)17-5-7-18(21)8-6-17/h5-10,16,23H,11-12H2,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol?
3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol has a molecular weight of 329.87 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol is sourced from PubChem (CID 166343252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).