4-(2-oxoindol-3-yl)benzoic acid

C15H9NO3 — CID 175545285

IUPAC4-(2-oxoindol-3-yl)benzoic acid
SMILESO=C1N=c2ccccc2=C1c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H9NO3/c17-14-13(11-3-1-2-4-12(11)16-14)9-5-7-10(8-6-9)15(18)19/h1-8H,(H,18,19)
InChIKeyRFCIKRQJHAKCSK-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.74
Rot. Bonds2

About 4-(2-oxoindol-3-yl)benzoic acid

4-(2-oxoindol-3-yl)benzoic acid (PubChem CID 175545285) has the molecular formula C15H9NO3 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-(2-oxoindol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-oxoindol-3-yl)benzoic acid
PubChem CID175545285
Molecular FormulaC15H9NO3
Molecular Weight251.24 g/mol
Exact Mass251.06
IUPAC Name4-(2-oxoindol-3-yl)benzoic acid
SMILESO=C1N=c2ccccc2=C1c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H9NO3/c17-14-13(11-3-1-2-4-12(11)16-14)9-5-7-10(8-6-9)15(18)19/h1-8H,(H,18,19)
InChIKeyRFCIKRQJHAKCSK-UHFFFAOYSA-N
XLogP0.74
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxoindol-3-yl)benzoic acid?
The IUPAC name of 4-(2-oxoindol-3-yl)benzoic acid (CID 175545285) is 4-(2-oxoindol-3-yl)benzoic acid.
What is the SMILES notation for 4-(2-oxoindol-3-yl)benzoic acid?
The canonical SMILES for 4-(2-oxoindol-3-yl)benzoic acid is O=C1N=c2ccccc2=C1c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-oxoindol-3-yl)benzoic acid?
The InChIKey is RFCIKRQJHAKCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO3/c17-14-13(11-3-1-2-4-12(11)16-14)9-5-7-10(8-6-9)15(18)19/h1-8H,(H,18,19).
What are the key properties of 4-(2-oxoindol-3-yl)benzoic acid?
4-(2-oxoindol-3-yl)benzoic acid has a molecular weight of 251.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxoindol-3-yl)benzoic acid is sourced from PubChem (CID 175545285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).