2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid

C22H17NO2 — CID 131953217

IUPAC2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C22H17NO2/c24-22(25)13-19-14-23-21-11-10-18(12-20(19)21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14,23H,13H2,(H,24,25)
InChIKeyCBAIPGGFZGBBDF-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.13
Rot. Bonds4

About 2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid

2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid (PubChem CID 131953217) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
PubChem CID131953217
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C22H17NO2/c24-22(25)13-19-14-23-21-11-10-18(12-20(19)21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14,23H,13H2,(H,24,25)
InChIKeyCBAIPGGFZGBBDF-UHFFFAOYSA-N
XLogP5.13
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-phenyl-1H-indol-3-yl)acetamide
CID 67245791
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
2-[5-(3,5-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 95483214
2-[5-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 142424412
2-(5-amino-1H-indol-3-yl)acetic acid
CID 24974925
2-[5-(4-bromophenyl)-1H-indol-3-yl]acetic acid;ethanol;ethyl 2-[5-(4-bromophenyl)-1H-indol-3-yl]acetate
CID 167604339
2-(5-cyclohexa-1,5-dien-1-yl-1H-indol-3-yl)acetic acid
CID 167159476
(2S)-2-amino-3-[5-(4-methylphenyl)-1H-indol-3-yl]propanoic acid
CID 25111495
oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine
CID 67816242
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
[(2R)-1-phenyl-3-(5-phenyl-1H-indol-3-yl)propan-2-yl] N-tert-butylcarbamate
CID 175114057
2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide
CID 18800618

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid (CID 131953217) is 2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid is O=C(O)Cc1c[nH]c2ccc(-c3ccc(-c4ccccc4)cc3)cc12.
What is the InChIKey of 2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is CBAIPGGFZGBBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-22(25)13-19-14-23-21-11-10-18(12-20(19)21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14,23H,13H2,(H,24,25).
What are the key properties of 2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid?
2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 131953217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).