2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid

C24H21NO2 — CID 58731253

IUPAC2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid
SMILESCC(c1ccccc1)(c1ccccc1)c1cn(CC(=O)O)c2ccccc12
InChIInChI=1S/C24H21NO2/c1-24(18-10-4-2-5-11-18,19-12-6-3-7-13-19)21-16-25(17-23(26)27)22-15-9-8-14-20(21)22/h2-16H,17H2,1H3,(H,26,27)
InChIKeyYZPWHEUPNCEWBI-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.08
Rot. Bonds5

About 2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid

2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid (PubChem CID 58731253) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid
PubChem CID58731253
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid
SMILESCC(c1ccccc1)(c1ccccc1)c1cn(CC(=O)O)c2ccccc12
InChIInChI=1S/C24H21NO2/c1-24(18-10-4-2-5-11-18,19-12-6-3-7-13-19)21-16-25(17-23(26)27)22-15-9-8-14-20(21)22/h2-16H,17H2,1H3,(H,26,27)
InChIKeyYZPWHEUPNCEWBI-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(carboxymethyl)indole-3-carboxylic acid
CID 14914502
2-[3-(hydroxymethyl)indol-1-yl]acetic acid
CID 15089421
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid
CID 3154371
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
2-[3-[(3-methoxypropylamino)methyl]indol-1-yl]acetic acid
CID 102535959
2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
CID 83776315
2-[1-(3,3-dimethylbutyl)indol-3-yl]acetic acid
CID 61481379
1-(3-bromoindol-1-yl)-3,3-dimethylbutan-2-one
CID 55119966
2-(5-tert-butyl-3-ethylindol-1-yl)acetic acid
CID 83945073
2-[3-[2-(4-methylpiperazin-1-yl)acetyl]indol-1-yl]acetic acid
CID 170861226
2-[3-(4-oxo-3H-phthalazin-1-yl)indol-1-yl]acetic acid
CID 67316971

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid?
The IUPAC name of 2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid (CID 58731253) is 2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid is CC(c1ccccc1)(c1ccccc1)c1cn(CC(=O)O)c2ccccc12.
What is the InChIKey of 2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid?
The InChIKey is YZPWHEUPNCEWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-24(18-10-4-2-5-11-18,19-12-6-3-7-13-19)21-16-25(17-23(26)27)22-15-9-8-14-20(21)22/h2-16H,17H2,1H3,(H,26,27).
What are the key properties of 2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid?
2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid has a molecular weight of 355.44 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid is sourced from PubChem (CID 58731253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).