3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid

C24H21NO2 — CID 1181864

IUPAC3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CCC(=O)O
InChIInChI=1S/C24H21NO2/c1-17-12-13-21-20(16-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(21)15-14-22(26)27/h2-13,16H,14-15H2,1H3,(H,26,27)
InChIKeyPTAQSYCAZMXLFA-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.76
Rot. Bonds5

About 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid

3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid (PubChem CID 1181864) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid
PubChem CID1181864
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CCC(=O)O
InChIInChI=1S/C24H21NO2/c1-17-12-13-21-20(16-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(21)15-14-22(26)27/h2-13,16H,14-15H2,1H3,(H,26,27)
InChIKeyPTAQSYCAZMXLFA-UHFFFAOYSA-N
XLogP5.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid?
The IUPAC name of 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid (CID 1181864) is 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid is Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CCC(=O)O.
What is the InChIKey of 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid?
The InChIKey is PTAQSYCAZMXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-17-12-13-21-20(16-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(21)15-14-22(26)27/h2-13,16H,14-15H2,1H3,(H,26,27).
What are the key properties of 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid?
3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid has a molecular weight of 355.44 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid is sourced from PubChem (CID 1181864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).