ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate

C14H14ClNO3 — CID 53468121

IUPACethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate
SMILESCCOC(=O)[C@@](O)(c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C14H14ClNO3/c1-2-19-13(17)14(18,12-4-3-9-16-12)10-5-7-11(15)8-6-10/h3-9,16,18H,2H2,1H3/t14-/m1/s1
InChIKeyHDCSOPZGFMCODK-CQSZACIVSA-N
MW279.72 g/mol
LogP2.47
Rot. Bonds4

About ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate

ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate (PubChem CID 53468121) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate
PubChem CID53468121
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Nameethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate
SMILESCCOC(=O)[C@@](O)(c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C14H14ClNO3/c1-2-19-13(17)14(18,12-4-3-9-16-12)10-5-7-11(15)8-6-10/h3-9,16,18H,2H2,1H3/t14-/m1/s1
InChIKeyHDCSOPZGFMCODK-CQSZACIVSA-N
XLogP2.47
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate?
The IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate (CID 53468121) is ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate.
What is the SMILES notation for ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate?
The canonical SMILES for ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate is CCOC(=O)[C@@](O)(c1ccc(Cl)cc1)c1ccc[nH]1.
What is the InChIKey of ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate?
The InChIKey is HDCSOPZGFMCODK-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-2-19-13(17)14(18,12-4-3-9-16-12)10-5-7-11(15)8-6-10/h3-9,16,18H,2H2,1H3/t14-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate?
ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate has a molecular weight of 279.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-chlorophenyl)-2-hydroxy-2-(1H-pyrrol-2-yl)acetate is sourced from PubChem (CID 53468121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).