2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione

C19H18N2O6 — CID 154108109

IUPAC2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCOc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C19H18N2O6/c22-16-12-13(21(25)26)8-9-17(16)27-11-5-1-4-10-20-18(23)14-6-2-3-7-15(14)19(20)24/h2-3,6-9,12,22H,1,4-5,10-11H2
InChIKeyRWXPRHXCJDZFQJ-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.15
Rot. Bonds8

About 2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione

2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione (PubChem CID 154108109) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione
PubChem CID154108109
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCOc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C19H18N2O6/c22-16-12-13(21(25)26)8-9-17(16)27-11-5-1-4-10-20-18(23)14-6-2-3-7-15(14)19(20)24/h2-3,6-9,12,22H,1,4-5,10-11H2
InChIKeyRWXPRHXCJDZFQJ-UHFFFAOYSA-N
XLogP3.15
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione
CID 3030015
2-[5-(2-nitrophenoxy)pentyl]isoindole-1,3-dione
CID 90431397
5-nitro-2-tetradecoxyphenol
CID 19747178
2-[3-(4-nitrophenoxy)propyl]isoindole-1,3-dione
CID 11151533
2-[10-(5-chloro-2-methyl-4-nitrophenoxy)decyl]isoindole-1,3-dione
CID 46927983
2-butoxy-5-nitrophenol
CID 141158099
2-[4-(4-nitrophenyl)sulfanylbutyl]isoindole-1,3-dione
CID 15349825
3-(1,3-dioxoisoindol-2-yl)propyl 4-nitrobenzoate
CID 31981429
dipotassium;2-[3-(4-fluoro-2-nitrophenoxy)propyl]isoindole-1,3-dione;carbonate
CID 157050689
2-[4-(3-methyl-2-nitrophenoxy)butyl]isoindole-1,3-dione
CID 112828307
2-[4-[(2-ethoxy-5-nitrophenyl)methylamino]butyl]isoindole-1,3-dione
CID 119128857
2-[4-(7-nitro-4-oxoquinazolin-3-yl)butyl]isoindole-1,3-dione
CID 4843689

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione (CID 154108109) is 2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCOc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione?
The InChIKey is RWXPRHXCJDZFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c22-16-12-13(21(25)26)8-9-17(16)27-11-5-1-4-10-20-18(23)14-6-2-3-7-15(14)19(20)24/h2-3,6-9,12,22H,1,4-5,10-11H2.
What are the key properties of 2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione?
2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione has a molecular weight of 370.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione is sourced from PubChem (CID 154108109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).