3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid

C22H17NO2 — CID 174627540

IUPAC3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid
SMILESCc1c(C(=O)O)cc(-c2ccccc2)cc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C22H17NO2/c1-14-18(21-13-16-9-5-6-10-20(16)23-21)11-17(12-19(14)22(24)25)15-7-3-2-4-8-15/h2-13,23H,1H3,(H,24,25)
InChIKeyOXOUBIMRCNQNKQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.51
Rot. Bonds3

About 3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid

3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid (PubChem CID 174627540) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid
PubChem CID174627540
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid
SMILESCc1c(C(=O)O)cc(-c2ccccc2)cc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C22H17NO2/c1-14-18(21-13-16-9-5-6-10-20(16)23-21)11-17(12-19(14)22(24)25)15-7-3-2-4-8-15/h2-13,23H,1H3,(H,24,25)
InChIKeyOXOUBIMRCNQNKQ-UHFFFAOYSA-N
XLogP5.51
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid 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

5-(1H-indol-2-yl)pyridazine-4-carboxylic acid
CID 82388435
3-(1H-indol-2-yl)-5-(4-methylphenyl)benzoic acid
CID 68762875
2-amino-3-(1H-indol-2-yl)benzoic acid
CID 150652093
2-methyl-3-methylsulfonyl-5-phenylbenzoic acid
CID 174609936
2-(2,6-diphenylphenyl)-1H-indole
CID 135023242
[2-(1H-indol-2-yl)phenyl] acetate
CID 155537678
2-methyl-1H-indole;oxalic acid
CID 161360574
ethane;1H-indole-2-carboxylic acid
CID 91052830
2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
2,5-bis(1H-indole-2-carbonyl)terephthalic acid
CID 70529357
2-[2-(4-methylsulfonylphenyl)phenyl]-1H-indole
CID 70342342

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid?
The IUPAC name of 3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid (CID 174627540) is 3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid.
What is the SMILES notation for 3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid?
The canonical SMILES for 3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid is Cc1c(C(=O)O)cc(-c2ccccc2)cc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid?
The InChIKey is OXOUBIMRCNQNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-14-18(21-13-16-9-5-6-10-20(16)23-21)11-17(12-19(14)22(24)25)15-7-3-2-4-8-15/h2-13,23H,1H3,(H,24,25).
What are the key properties of 3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid?
3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid has a molecular weight of 327.38 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid is sourced from PubChem (CID 174627540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).