2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid

C15H8ClNO5 — CID 777395

IUPAC2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1O)C2=O
InChIInChI=1S/C15H8ClNO5/c16-8-2-4-12(18)11(6-8)17-13(19)9-3-1-7(15(21)22)5-10(9)14(17)20/h1-6,18H,(H,21,22)
InChIKeyNGRNQTMCUBNKPJ-UHFFFAOYSA-N
MW317.68 g/mol
LogP2.54
Rot. Bonds2

About 2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid

2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 777395) has the molecular formula C15H8ClNO5 and a molecular weight of 317.68 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID777395
Molecular FormulaC15H8ClNO5
Molecular Weight317.68 g/mol
Exact Mass317.01
IUPAC Name2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1O)C2=O
InChIInChI=1S/C15H8ClNO5/c16-8-2-4-12(18)11(6-8)17-13(19)9-3-1-7(15(21)22)5-10(9)14(17)20/h1-6,18H,(H,21,22)
InChIKeyNGRNQTMCUBNKPJ-UHFFFAOYSA-N
XLogP2.54
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.68
LogP ≤ 52.54
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-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 746439
2-(4-chloro-2-nitrophenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 23800567
2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 761478
2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 30106047
4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 46868655
2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 129198914
6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 23938408
2-(2-benzoyl-4-chlorophenyl)-5-[2-(2-benzoyl-4-chlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 3110126
2-[4-[4-(5-carboxy-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-methylphenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 102007666
2-(4-chloro-2,5-dimethoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 983705
3-(1,3-dioxoisoindol-2-yl)-4-fluorobenzoic acid
CID 60828530
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid (CID 777395) is 2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1O)C2=O.
What is the InChIKey of 2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is NGRNQTMCUBNKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClNO5/c16-8-2-4-12(18)11(6-8)17-13(19)9-3-1-7(15(21)22)5-10(9)14(17)20/h1-6,18H,(H,21,22).
What are the key properties of 2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 317.68 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 777395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).