2-(1H-indol-2-yl)benzoic acid

C15H11NO2 — CID 711638

IUPAC2-(1H-indol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C15H11NO2/c17-15(18)12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-9,16H,(H,17,18)
InChIKeyLCESEHLZWDWPKJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.53
Rot. Bonds2

About 2-(1H-indol-2-yl)benzoic acid

2-(1H-indol-2-yl)benzoic acid (PubChem CID 711638) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(1H-indol-2-yl)benzoic acid
PubChem CID711638
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-(1H-indol-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C15H11NO2/c17-15(18)12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-9,16H,(H,17,18)
InChIKeyLCESEHLZWDWPKJ-UHFFFAOYSA-N
XLogP3.53
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Cinchophen
CID 8593
Indole-3-Carboxylic Acid
CID 69867
2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-
CID 10177
Indole-2-carboxylic acid
CID 72899
5-Fluoroindole-2-carboxylic acid
CID 1820
5-methyl-1H-indole-2-carboxylic acid
CID 259188
1H-Indole-7-carboxylic acid
CID 74281
2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 2063433
Methyl Carbazole-3-Carboxylate
CID 504069
1H-indole-6-carboxylic acid
CID 595230
2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 729801
2-phenyl-1H-indole-6-carboxylic acid
CID 826252

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)benzoic acid?
The IUPAC name of 2-(1H-indol-2-yl)benzoic acid (CID 711638) is 2-(1H-indol-2-yl)benzoic acid.
What is the SMILES notation for 2-(1H-indol-2-yl)benzoic acid?
The canonical SMILES for 2-(1H-indol-2-yl)benzoic acid is O=C(O)c1ccccc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-indol-2-yl)benzoic acid?
The InChIKey is LCESEHLZWDWPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-15(18)12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-9,16H,(H,17,18).
What are the key properties of 2-(1H-indol-2-yl)benzoic acid?
2-(1H-indol-2-yl)benzoic acid has a molecular weight of 237.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)benzoic acid is sourced from PubChem (CID 711638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).