2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione

C16H13NO5 — CID 15924368

IUPAC2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione
SMILESCOc1ccc(CON2C(=O)c3ccccc3C2=O)cc1O
InChIInChI=1S/C16H13NO5/c1-21-14-7-6-10(8-13(14)18)9-22-17-15(19)11-4-2-3-5-12(11)16(17)20/h2-8,18H,9H2,1H3
InChIKeyCGKQKJFCKKFRPS-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.13
Rot. Bonds4

About 2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione

2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione (PubChem CID 15924368) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione
PubChem CID15924368
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione
SMILESCOc1ccc(CON2C(=O)c3ccccc3C2=O)cc1O
InChIInChI=1S/C16H13NO5/c1-21-14-7-6-10(8-13(14)18)9-22-17-15(19)11-4-2-3-5-12(11)16(17)20/h2-8,18H,9H2,1H3
InChIKeyCGKQKJFCKKFRPS-UHFFFAOYSA-N
XLogP2.13
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxy-4-pent-2-ynoxyphenyl)methoxy]isoindole-1,3-dione
CID 18442091
2-[[4-(chloromethyl)phenyl]methoxy]isoindole-1,3-dione
CID 23315738
2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
CID 101060892
(1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 23966444
2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 21138805
(3-hydroxy-4-methoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10585997
3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione
CID 141397575
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-(aminomethyl)-2-methoxyphenol
CID 1132998
2-[(4Z)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]acetate
CID 9367852
(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
CID 7298318
(3,4-dimethoxyphenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9097092

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione (CID 15924368) is 2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione is COc1ccc(CON2C(=O)c3ccccc3C2=O)cc1O.
What is the InChIKey of 2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione?
The InChIKey is CGKQKJFCKKFRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-21-14-7-6-10(8-13(14)18)9-22-17-15(19)11-4-2-3-5-12(11)16(17)20/h2-8,18H,9H2,1H3.
What are the key properties of 2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione?
2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione has a molecular weight of 299.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methoxyphenyl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 15924368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).