3-(3-benzyl-1-phenylindol-5-yl)propanoic acid

C24H21NO2 — CID 59317854

IUPAC3-(3-benzyl-1-phenylindol-5-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)c(Cc1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C24H21NO2/c26-24(27)14-12-19-11-13-23-22(16-19)20(15-18-7-3-1-4-8-18)17-25(23)21-9-5-2-6-10-21/h1-11,13,16-17H,12,14-15H2,(H,26,27)
InChIKeyZGZNSFCEHWHAPP-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.24
Rot. Bonds6

About 3-(3-benzyl-1-phenylindol-5-yl)propanoic acid

3-(3-benzyl-1-phenylindol-5-yl)propanoic acid (PubChem CID 59317854) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(3-benzyl-1-phenylindol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-benzyl-1-phenylindol-5-yl)propanoic acid
PubChem CID59317854
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name3-(3-benzyl-1-phenylindol-5-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)c(Cc1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C24H21NO2/c26-24(27)14-12-19-11-13-23-22(16-19)20(15-18-7-3-1-4-8-18)17-25(23)21-9-5-2-6-10-21/h1-11,13,16-17H,12,14-15H2,(H,26,27)
InChIKeyZGZNSFCEHWHAPP-UHFFFAOYSA-N
XLogP5.24
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Butyric Acid
CID 8617
1H-Indole-3-propanoic acid
CID 3744
Indoximod
CID 405012
1-Methyl-L-tryptophan
CID 676159
Aleplasinin
CID 10224267
Carbazole Butanoic Acid
CID 448769
2-(1-methyl-1H-indol-3-yl)acetic acid
CID 254166
Cysmethynil
CID 6918831
3-(2-Phenyl-1H-indol-1-yl)propanoic acid
CID 803793
1-benzyl-1H-indole-3-carboxylic acid
CID 33671
1H-Indole-1-propionic acid
CID 81139
3-(1-methyl-1H-indol-3-yl)propanoic acid
CID 344600

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-1-phenylindol-5-yl)propanoic acid?
The IUPAC name of 3-(3-benzyl-1-phenylindol-5-yl)propanoic acid (CID 59317854) is 3-(3-benzyl-1-phenylindol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-benzyl-1-phenylindol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-benzyl-1-phenylindol-5-yl)propanoic acid is O=C(O)CCc1ccc2c(c1)c(Cc1ccccc1)cn2-c1ccccc1.
What is the InChIKey of 3-(3-benzyl-1-phenylindol-5-yl)propanoic acid?
The InChIKey is ZGZNSFCEHWHAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c26-24(27)14-12-19-11-13-23-22(16-19)20(15-18-7-3-1-4-8-18)17-25(23)21-9-5-2-6-10-21/h1-11,13,16-17H,12,14-15H2,(H,26,27).
What are the key properties of 3-(3-benzyl-1-phenylindol-5-yl)propanoic acid?
3-(3-benzyl-1-phenylindol-5-yl)propanoic acid has a molecular weight of 355.44 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-1-phenylindol-5-yl)propanoic acid is sourced from PubChem (CID 59317854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).