ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate

C16H21Cl2NO3 — CID 154170184

IUPACethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(O)(c2ccc(Cl)c(Cl)c2)CC1C(C)C
InChIInChI=1S/C16H21Cl2NO3/c1-4-22-15(20)19-9-16(21,8-14(19)10(2)3)11-5-6-12(17)13(18)7-11/h5-7,10,14,21H,4,8-9H2,1-3H3
InChIKeyAAVXQWXPOKTKMC-UHFFFAOYSA-N
MW346.25 g/mol
LogP4.07
Rot. Bonds3

About ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate

ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate (PubChem CID 154170184) has the molecular formula C16H21Cl2NO3 and a molecular weight of 346.25 g/mol. Its IUPAC name is ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate
PubChem CID154170184
Molecular FormulaC16H21Cl2NO3
Molecular Weight346.25 g/mol
Exact Mass345.09
IUPAC Nameethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(O)(c2ccc(Cl)c(Cl)c2)CC1C(C)C
InChIInChI=1S/C16H21Cl2NO3/c1-4-22-15(20)19-9-16(21,8-14(19)10(2)3)11-5-6-12(17)13(18)7-11/h5-7,10,14,21H,4,8-9H2,1-3H3
InChIKeyAAVXQWXPOKTKMC-UHFFFAOYSA-N
XLogP4.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
CID 106823902
3-O-tert-butyl 1-O-ethyl 6-(3,4-dichlorophenyl)-5,5-difluoro-4-hydroxy-3-azabicyclo[4.1.0]heptane-1,3-dicarboxylate
CID 70833208
ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate
CID 165351926
ethyl 2-amino-2-(3-carbamoyl-4-chlorophenyl)-3,3-difluoroazetidine-1-carboxylate
CID 175019912
1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol
CID 107559714
ethyl 1-(3,4-dichlorophenyl)-2-oxocyclohexane-1-carboxylate
CID 58954927
ethyl 2-(3,4-dichlorophenyl)-3,3-dimethyloxirane-2-carboxylate
CID 10517514
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429754
ethyl (1R,5S)-3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 13091238
ethyl (1R,4S,5S)-5-(3,4-dichlorophenyl)-2,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-4-carboxylate
CID 91327697
1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64933707

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate?
The IUPAC name of ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate (CID 154170184) is ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate is CCOC(=O)N1CC(O)(c2ccc(Cl)c(Cl)c2)CC1C(C)C.
What is the InChIKey of ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate?
The InChIKey is AAVXQWXPOKTKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO3/c1-4-22-15(20)19-9-16(21,8-14(19)10(2)3)11-5-6-12(17)13(18)7-11/h5-7,10,14,21H,4,8-9H2,1-3H3.
What are the key properties of ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate?
ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate has a molecular weight of 346.25 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dichlorophenyl)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 154170184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).