ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate

C20H19NO2 — CID 71533944

IUPACethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate
SMILESCCOC(=O)n1c(/C=C/c2ccc(C)cc2)cc2ccccc21
InChIInChI=1S/C20H19NO2/c1-3-23-20(22)21-18(14-17-6-4-5-7-19(17)21)13-12-16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3/b13-12+
InChIKeyDUWYTNGPDRYMBM-OUKQBFOZSA-N
MW305.38 g/mol
LogP5.12
Rot. Bonds3

About ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate

ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate (PubChem CID 71533944) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate
PubChem CID71533944
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Nameethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate
SMILESCCOC(=O)n1c(/C=C/c2ccc(C)cc2)cc2ccccc21
InChIInChI=1S/C20H19NO2/c1-3-23-20(22)21-18(14-17-6-4-5-7-19(17)21)13-12-16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3/b13-12+
InChIKeyDUWYTNGPDRYMBM-OUKQBFOZSA-N
XLogP5.12
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 7-[2-[(E)-3-hydroxyoct-1-enyl]indol-1-yl]heptanoate
CID 14674436
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
ethyl 2-hydroxy-6-phenylindole-1-carboxylate
CID 57179740
ethyl 1-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]indole-2-carboxylate
CID 18362058
ethyl 1-[[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]methyl]indole-2-carboxylate
CID 70241933
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl (E)-4-(2-methylindol-1-yl)but-2-enoate
CID 80546121
ethoxy-(1-ethoxycarbonylquinolin-2-ylidene)-oxidophosphanium
CID 140996441
2-(dimethylamino)ethyl 2-[(Z)-(3-ethoxy-5-oxo-1H-pyrazol-4-ylidene)methyl]indole-1-carboxylate
CID 139942545
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate?
The IUPAC name of ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate (CID 71533944) is ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate.
What is the SMILES notation for ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate?
The canonical SMILES for ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate is CCOC(=O)n1c(/C=C/c2ccc(C)cc2)cc2ccccc21.
What is the InChIKey of ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate?
The InChIKey is DUWYTNGPDRYMBM-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-23-20(22)21-18(14-17-6-4-5-7-19(17)21)13-12-16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3/b13-12+.
What are the key properties of ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate?
ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate is sourced from PubChem (CID 71533944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).