ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate

C23H25NO2 — CID 56975920

IUPACethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(C(Cc2ccc(C)cc2)c2ccc[nH]2)c1
InChIInChI=1S/C23H25NO2/c1-3-26-23(25)16-19-6-4-7-20(14-19)21(22-8-5-13-24-22)15-18-11-9-17(2)10-12-18/h4-14,21,24H,3,15-16H2,1-2H3
InChIKeyDFDUFTZOWQYNCZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.80
Rot. Bonds7

About ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate

ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate (PubChem CID 56975920) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate
PubChem CID56975920
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Nameethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate
SMILESCCOC(=O)Cc1cccc(C(Cc2ccc(C)cc2)c2ccc[nH]2)c1
InChIInChI=1S/C23H25NO2/c1-3-26-23(25)16-19-6-4-7-20(14-19)21(22-8-5-13-24-22)15-18-11-9-17(2)10-12-18/h4-14,21,24H,3,15-16H2,1-2H3
InChIKeyDFDUFTZOWQYNCZ-UHFFFAOYSA-N
XLogP4.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate 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 1H-indole-3-acetate
CID 13067
Methyl 4-(indol-3-yl)butyrate
CID 85010
Ethyl 4-(1h-indol-3-yl)butanoate
CID 292652
2-[4-(1H-Indol-5-yl)-phenyl]-propionic acid
CID 44336354
4-(5-Phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-benzoic acid ethyl ester
CID 44323946
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]-benzoic acid ethyl ester
CID 44373103
(3R,3aS,4S,4aS,9aR,E)-3-methyl-4-(2-(5-phenylpyridin-2-yl)vinyl)-3,3a,4,4a,5,6,7,8-octahydronaphtho[2,3-c]furan-1(9aH)-one
CID 44432693
(3R,3aS,4S,5R,6S,7aR)-5-ethyl-3,6-dimethyl-4-[(E)-2-(5-phenyl-2-pyridinyl)ethenyl]-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 70681077
(3R,3aS,4S,5R,6S,7aR)-5-ethyl-3,6-dimethyl-4-[(E)-2-[5-(2-methylphenyl)-2-pyridinyl]ethenyl]-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 70685279
(3R,3aS,4S,5R,6S,7aR)-5-ethyl-3,6-dimethyl-4-[(E)-2-[5-(3-methylphenyl)-2-pyridinyl]ethenyl]-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 70693686
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 2424351
Ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
CID 2803848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate?
The IUPAC name of ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate (CID 56975920) is ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate is CCOC(=O)Cc1cccc(C(Cc2ccc(C)cc2)c2ccc[nH]2)c1.
What is the InChIKey of ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate?
The InChIKey is DFDUFTZOWQYNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-3-26-23(25)16-19-6-4-7-20(14-19)21(22-8-5-13-24-22)15-18-11-9-17(2)10-12-18/h4-14,21,24H,3,15-16H2,1-2H3.
What are the key properties of ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate?
ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate has a molecular weight of 347.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-(4-methylphenyl)-1-(1H-pyrrol-2-yl)ethyl]phenyl]acetate is sourced from PubChem (CID 56975920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).