methyl 3-cyclohexyl-2-(2-vinylphenyl)1H-indole-6-carboxylate

HCID 58765232

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: C=Cc1ccccc1-c1[nH]c2cc(C(=O)OC)ccc2c1C1CCCCC1
InChIKey: BYUPUGIWGKLIPH-UHFFFAOYSA-N
Molecular formula: C24H25NO2
Average molar mass: 359.5 g/mol

Names & identifiers

Preferred name: methyl 3-cyclohexyl-2-(2-vinylphenyl)1H-indole-6-carboxylate
IUPAC: methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate

Names & synonyms

SCHEMBL3088394BYUPUGIWGKLIPH-UHFFFAOYSA-NMethyl 3-cyclohexyl-2-(2-vinylphenyl)-1H-indole-6-carboxylatemethyl 3-cyclohexyl-2-(2-vinylphenyl)1H-indole-6-carboxylate

Database identifiers

PubChem CID: 58765232

Properties

Computed structural properties

XLogP: 6.9
Topological polar surface area: 42.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 526

Related reactions

15 records

New reaction record

HRID 121197 reaction equation

HRID 121197As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 290840 reaction equation

HRID 290840As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 830723 reaction equation

HRID 830723As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 860708 reaction equation

HRID 860708As reactantuspto-grants-2006_12

HRID 860709 reaction equation

HRID 860709As reactantuspto-grants-2006_12

HRID 1210775 reaction equation

HRID 1210775As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1394837 reaction equation

HRID 1394837As reactantuspto-grants-2008_03

HRID 1394838 reaction equation

HRID 1394838As reactantuspto-grants-2008_03

Compound notes

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