CAS 3652-61-7|ethyl 2-methyl-1,5-diphenyl-1H-pyrrole-3-carboxylate|ethyl 2-methyl-1,5-diphenylpyrrole-3-carboxylate|ethyl 2-methyl-1,5-diphenyl-1H-pyrrole-3-carboxylate|2-Methyl-1,5-diphenylpyrrole-...

General Information

Structure

Molecular Formula

C₂₀H₁₉NO₂

Molecular Mass

305.37036

Exact Mass

305.14157885

Charge

InChI

InChI=1S/C20H19NO2/c1-3-23-20(22)18-14-19(16-10-6-4-7-11-16)21(15(18)2)17-12-8-5-9-13-17/h4-14H,3H2,1-2H3

InChIKey

YHEGUULWFOVVRG-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)c1cc(n(c1C)c1ccccc1)c1ccccc1

Isomeric Smiles

n1(c2ccccc2)c(c(cc1c1ccccc1)C(=O)OCC)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.061837

LogD (pH = 7.4)

5.061837

Log P

5.061837

Molar Refractivity

102.7477

Polarizability

37.37902

Polar Surface Area

31.23

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

ethyl 2-methyl-1,5-diphenyl-1H-pyrrole-3-carboxylate2-Methyl-1,5-diphenylpyrrole-3-carboxylic acid ethyl esterEthyl 2-methyl-1,5-diphenylpyrrole-3-carboxylate1,5-Diphenyl-2-methylpyrrole-3-carboxylic acid ethyl ester2-甲基-1,5-二苯基吡咯-3-甲酸乙酯

IUPAC Traditional name

ethyl 2-methyl-1,5-diphenylpyrrole-3-carboxylate

IUPAC name

ethyl 2-methyl-1,5-diphenyl-1H-pyrrole-3-carboxylate

Names and Identifiers

Registration numbers

CAS Number

3652-61-7

MDL Number

MFCD00221065

PubChem SID

162073451