7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid

C17H15NO2 — CID 169084297

IUPAC7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid
SMILESCc1ccc(C)c(-c2cccc3cc(C(=O)O)[nH]c23)c1
InChIInChI=1S/C17H15NO2/c1-10-6-7-11(2)14(8-10)13-5-3-4-12-9-15(17(19)20)18-16(12)13/h3-9,18H,1-2H3,(H,19,20)
InChIKeyJREMLTBQBOOIKU-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.15
Rot. Bonds2

About 7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid

7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid (PubChem CID 169084297) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid
PubChem CID169084297
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid
SMILESCc1ccc(C)c(-c2cccc3cc(C(=O)O)[nH]c23)c1
InChIInChI=1S/C17H15NO2/c1-10-6-7-11(2)14(8-10)13-5-3-4-12-9-15(17(19)20)18-16(12)13/h3-9,18H,1-2H3,(H,19,20)
InChIKeyJREMLTBQBOOIKU-UHFFFAOYSA-N
XLogP4.15
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-(2-phenylphenyl)-1H-indole-2-carboxylic acid
CID 169084287
7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205
1H-benzo[g]indole-2-carboxylic acid
CID 645288
7-bromo-2-(2,5-dimethylphenyl)-1H-indole
CID 131886878
(7-methyl-1H-indol-2-yl)-phenylmethanone
CID 13184984
ethyl 7-[2-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate
CID 171663080
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
3-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxylic acid
CID 79325240
3-(2,5-dimethylphenyl)benzoic acid
CID 39246828
7-(3-phenylmethoxyphenyl)-1H-indole-2-carboxylic acid
CID 171663125
ethane;1H-indole-2-carboxylic acid
CID 91052830
4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83640390

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid (CID 169084297) is 7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid is Cc1ccc(C)c(-c2cccc3cc(C(=O)O)[nH]c23)c1.
What is the InChIKey of 7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid?
The InChIKey is JREMLTBQBOOIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-10-6-7-11(2)14(8-10)13-5-3-4-12-9-15(17(19)20)18-16(12)13/h3-9,18H,1-2H3,(H,19,20).
What are the key properties of 7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid?
7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethylphenyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 169084297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).