methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate

C24H21NO2 — CID 101353795

IUPACmethyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCc3cc(/C=C/c4ccccc4)ccc32)cc1
InChIInChI=1S/C24H21NO2/c1-27-24(26)20-10-12-22(13-11-20)25-16-15-21-17-19(9-14-23(21)25)8-7-18-5-3-2-4-6-18/h2-14,17H,15-16H2,1H3/b8-7+
InChIKeyCIEWIAZQWHNBNJ-BQYQJAHWSA-N
MW355.44 g/mol
LogP5.34
Rot. Bonds4

About methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate

methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate (PubChem CID 101353795) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate
PubChem CID101353795
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Namemethyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCc3cc(/C=C/c4ccccc4)ccc32)cc1
InChIInChI=1S/C24H21NO2/c1-27-24(26)20-10-12-22(13-11-20)25-16-15-21-17-19(9-14-23(21)25)8-7-18-5-3-2-4-6-18/h2-14,17H,15-16H2,1H3/b8-7+
InChIKeyCIEWIAZQWHNBNJ-BQYQJAHWSA-N
XLogP5.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate 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

1-methyl-6-[2-[1-(9-phenylcarbazol-3-yl)-2,3-dihydroindol-5-yl]ethenyl]pyridin-1-ium-3-carboxylic acid
CID 77439746
methyl 1-[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-carboxylate
CID 55514251
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 4-amino-3-(2,3-dihydroindol-1-yl)benzoate
CID 82785876
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate
CID 124635200
methyl 4-[2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 68977211
1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea
CID 151533413
methyl 1-benzylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 47019071
methyl 4-(2,3-dihydroindol-1-yl)-3-nitrobenzoate
CID 23961339
methyl 2-amino-5-(2-phenylethenyl)benzoate
CID 70119663

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate?
The IUPAC name of methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate (CID 101353795) is methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate.
What is the SMILES notation for methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate?
The canonical SMILES for methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate is COC(=O)c1ccc(N2CCc3cc(/C=C/c4ccccc4)ccc32)cc1.
What is the InChIKey of methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate?
The InChIKey is CIEWIAZQWHNBNJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H21NO2/c1-27-24(26)20-10-12-22(13-11-20)25-16-15-21-17-19(9-14-23(21)25)8-7-18-5-3-2-4-6-18/h2-14,17H,15-16H2,1H3/b8-7+.
What are the key properties of methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate?
methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate has a molecular weight of 355.44 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate is sourced from PubChem (CID 101353795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).