1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone

C15H19Cl2NO3 — CID 3023659

IUPAC1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone
SMILESCOc1c(Cl)cc(Cl)cc1OCCC1CCCN1C(C)=O
InChIInChI=1S/C15H19Cl2NO3/c1-10(19)18-6-3-4-12(18)5-7-21-14-9-11(16)8-13(17)15(14)20-2/h8-9,12H,3-7H2,1-2H3
InChIKeyONPFSHSWLNDJJP-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.78
Rot. Bonds5

About 1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone

1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone (PubChem CID 3023659) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone
PubChem CID3023659
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone
SMILESCOc1c(Cl)cc(Cl)cc1OCCC1CCCN1C(C)=O
InChIInChI=1S/C15H19Cl2NO3/c1-10(19)18-6-3-4-12(18)5-7-21-14-9-11(16)8-13(17)15(14)20-2/h8-9,12H,3-7H2,1-2H3
InChIKeyONPFSHSWLNDJJP-UHFFFAOYSA-N
XLogP3.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone (CID 3023659) is 1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone is COc1c(Cl)cc(Cl)cc1OCCC1CCCN1C(C)=O.
What is the InChIKey of 1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone?
The InChIKey is ONPFSHSWLNDJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-10(19)18-6-3-4-12(18)5-7-21-14-9-11(16)8-13(17)15(14)20-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone?
1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone has a molecular weight of 332.23 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 3023659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).