2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid

C15H9NO5 — CID 61406083

IUPAC2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H9NO5/c17-8-5-6-12(11(7-8)15(20)21)16-13(18)9-3-1-2-4-10(9)14(16)19/h1-7,17H,(H,20,21)
InChIKeyKKVFESONPHAYBE-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.89
Rot. Bonds2

About 2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid

2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid (PubChem CID 61406083) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid
PubChem CID61406083
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H9NO5/c17-8-5-6-12(11(7-8)15(20)21)16-13(18)9-3-1-2-4-10(9)14(16)19/h1-7,17H,(H,20,21)
InChIKeyKKVFESONPHAYBE-UHFFFAOYSA-N
XLogP1.89
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.89
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-[13-(2-carboxy-4-hydroxyphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-5-hydroxybenzoic acid
CID 102524592
2-(2,4-dihydroxyphenyl)isoindole-1,3-dione
CID 168516422
2-[[3-(1,3-dioxoisoindol-2-yl)-4-methylbenzoyl]amino]-5-hydroxybenzoic acid
CID 17370705
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-5-hydroxybenzoic acid
CID 61406042
2-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)-5-hydroxybenzoic acid
CID 103551454
4-(1,3-dioxoisoindol-2-yl)phthalic acid
CID 168515933
2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517823
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)benzoic acid
CID 1360682
2-(azepan-1-yl)-5-hydroxybenzoic acid
CID 12784733
3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 131107493
azanium 2-carboxy-4-hydroxyphenolate
CID 54715378
2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]carbamothioylamino]benzoic acid
CID 139229874

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid (CID 61406083) is 2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid is O=C(O)c1cc(O)ccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid?
The InChIKey is KKVFESONPHAYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO5/c17-8-5-6-12(11(7-8)15(20)21)16-13(18)9-3-1-2-4-10(9)14(16)19/h1-7,17H,(H,20,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid?
2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid has a molecular weight of 283.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid is sourced from PubChem (CID 61406083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).