methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate

C20H23NO2 — CID 134954112

IUPACmethyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1ccc(N2CCCC2)cc1C
InChIInChI=1S/C20H23NO2/c1-15-14-17(21-12-6-7-13-21)10-11-18(15)19(20(22)23-2)16-8-4-3-5-9-16/h3-5,8-11,14,19H,6-7,12-13H2,1-2H3
InChIKeyWDODHJIJXGOLLD-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.90
Rot. Bonds4

About methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate

methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate (PubChem CID 134954112) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate
PubChem CID134954112
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namemethyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1ccc(N2CCCC2)cc1C
InChIInChI=1S/C20H23NO2/c1-15-14-17(21-12-6-7-13-21)10-11-18(15)19(20(22)23-2)16-8-4-3-5-9-16/h3-5,8-11,14,19H,6-7,12-13H2,1-2H3
InChIKeyWDODHJIJXGOLLD-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate?
The IUPAC name of methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate (CID 134954112) is methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate.
What is the SMILES notation for methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate?
The canonical SMILES for methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate is COC(=O)C(c1ccccc1)c1ccc(N2CCCC2)cc1C.
What is the InChIKey of methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate?
The InChIKey is WDODHJIJXGOLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-14-17(21-12-6-7-13-21)10-11-18(15)19(20(22)23-2)16-8-4-3-5-9-16/h3-5,8-11,14,19H,6-7,12-13H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate?
methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate has a molecular weight of 309.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-phenylacetate is sourced from PubChem (CID 134954112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).