2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid

C16H11NO5 — CID 151179339

IUPAC2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid
SMILESCc1ccc2c(c1)C(=O)N(c1cccc(O)c1C(=O)O)C2=O
InChIInChI=1S/C16H11NO5/c1-8-5-6-9-10(7-8)15(20)17(14(9)19)11-3-2-4-12(18)13(11)16(21)22/h2-7,18H,1H3,(H,21,22)
InChIKeyNDYOAYIABVXDMF-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.20
Rot. Bonds2

About 2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid

2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid (PubChem CID 151179339) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid
PubChem CID151179339
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Name2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid
SMILESCc1ccc2c(c1)C(=O)N(c1cccc(O)c1C(=O)O)C2=O
InChIInChI=1S/C16H11NO5/c1-8-5-6-9-10(7-8)15(20)17(14(9)19)11-3-2-4-12(18)13(11)16(21)22/h2-7,18H,1H3,(H,21,22)
InChIKeyNDYOAYIABVXDMF-UHFFFAOYSA-N
XLogP2.20
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid
CID 151137388
2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 30106047
3-(5-methyl-1,3-dioxoisoindol-2-yl)thiophene-2-carboxylic acid
CID 43345969
2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 746439
2-(5-methyl-1,3-dioxoisoindol-2-yl)benzenecarbothioamide
CID 43345994
2-[2-(1-aminoethyl)phenyl]-5-methylisoindole-1,3-dione
CID 43653732
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366
2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid
CID 61263948
2-(3-bromophenyl)-5-methylisoindole-1,3-dione
CID 43236211
2-(2,5-dibromophenyl)-5-methylisoindole-1,3-dione
CID 17132722
2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 61207714
2-hydroxy-6-(triazol-2-yl)benzoic acid
CID 84672925

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid (CID 151179339) is 2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid is Cc1ccc2c(c1)C(=O)N(c1cccc(O)c1C(=O)O)C2=O.
What is the InChIKey of 2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid?
The InChIKey is NDYOAYIABVXDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c1-8-5-6-9-10(7-8)15(20)17(14(9)19)11-3-2-4-12(18)13(11)16(21)22/h2-7,18H,1H3,(H,21,22).
What are the key properties of 2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid?
2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid has a molecular weight of 297.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid is sourced from PubChem (CID 151179339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).