2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione

C20H12N2O6 — CID 1206268

IUPAC2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccccc1O
InChIInChI=1S/C20H12N2O6/c23-18-7-2-1-6-17(18)21-19(24)15-9-8-14(11-16(15)20(21)25)28-13-5-3-4-12(10-13)22(26)27/h1-11,23H
InChIKeyBPJHOUAABXYQDV-UHFFFAOYSA-N
MW376.32 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione

2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione (PubChem CID 1206268) has the molecular formula C20H12N2O6 and a molecular weight of 376.32 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione
PubChem CID1206268
Molecular FormulaC20H12N2O6
Molecular Weight376.32 g/mol
Exact Mass376.07
IUPAC Name2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccccc1O
InChIInChI=1S/C20H12N2O6/c23-18-7-2-1-6-17(18)21-19(24)15-9-8-14(11-16(15)20(21)25)28-13-5-3-4-12(10-13)22(26)27/h1-11,23H
InChIKeyBPJHOUAABXYQDV-UHFFFAOYSA-N
XLogP3.89
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid
CID 1359284
Stk156605
CID 2264883
N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide
CID 893435
2-(2-Hydroxyethyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
CID 689734
2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid
CID 1365686
N-(4-{[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide
CID 1107366
4-{[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]methyl}benzoic acid
CID 1365399
2-[5-(4-Nitrophenoxy)-1,3-dioxoisoindol-2-yl]acetic acid
CID 869832
3-[5-(3-aminophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
CID 1102488
4-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid
CID 1300229
N-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetamide
CID 728371
2-[5-(3-Nitrophenoxy)-1,3-dioxoisoindol-2-yl]acetic acid
CID 869604

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione (CID 1206268) is 2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione is O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione?
The InChIKey is BPJHOUAABXYQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O6/c23-18-7-2-1-6-17(18)21-19(24)15-9-8-14(11-16(15)20(21)25)28-13-5-3-4-12(10-13)22(26)27/h1-11,23H.
What are the key properties of 2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione?
2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione has a molecular weight of 376.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione is sourced from PubChem (CID 1206268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).