4-(3-oxo-1H-isoindol-2-yl)benzoic acid

C15H11NO3 — CID 13190987

IUPAC4-(3-oxo-1H-isoindol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO3/c17-14-13-4-2-1-3-11(13)9-16(14)12-7-5-10(6-8-12)15(18)19/h1-8H,9H2,(H,18,19)
InChIKeyYIUFFQLXXYMULO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.55
Rot. Bonds2

About 4-(3-oxo-1H-isoindol-2-yl)benzoic acid

4-(3-oxo-1H-isoindol-2-yl)benzoic acid (PubChem CID 13190987) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(3-oxo-1H-isoindol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-oxo-1H-isoindol-2-yl)benzoic acid
PubChem CID13190987
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name4-(3-oxo-1H-isoindol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C15H11NO3/c17-14-13-4-2-1-3-11(13)9-16(14)12-7-5-10(6-8-12)15(18)19/h1-8H,9H2,(H,18,19)
InChIKeyYIUFFQLXXYMULO-UHFFFAOYSA-N
XLogP2.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-1H-isoindol-2-yl)benzoic acid?
The IUPAC name of 4-(3-oxo-1H-isoindol-2-yl)benzoic acid (CID 13190987) is 4-(3-oxo-1H-isoindol-2-yl)benzoic acid.
What is the SMILES notation for 4-(3-oxo-1H-isoindol-2-yl)benzoic acid?
The canonical SMILES for 4-(3-oxo-1H-isoindol-2-yl)benzoic acid is O=C(O)c1ccc(N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 4-(3-oxo-1H-isoindol-2-yl)benzoic acid?
The InChIKey is YIUFFQLXXYMULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-14-13-4-2-1-3-11(13)9-16(14)12-7-5-10(6-8-12)15(18)19/h1-8H,9H2,(H,18,19).
What are the key properties of 4-(3-oxo-1H-isoindol-2-yl)benzoic acid?
4-(3-oxo-1H-isoindol-2-yl)benzoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-1H-isoindol-2-yl)benzoic acid is sourced from PubChem (CID 13190987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).