3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C20H18N2O5 — CID 170905195

IUPAC3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(OCc4cccc(O)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H18N2O5/c23-14-3-1-2-12(8-14)11-27-15-5-4-13-10-22(20(26)16(13)9-15)17-6-7-18(24)21-19(17)25/h1-5,8-9,17,23H,6-7,10-11H2,(H,21,24,25)
InChIKeyISFJUFJNJXXODF-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.73
Rot. Bonds4

About 3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170905195) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID170905195
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(OCc4cccc(O)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H18N2O5/c23-14-3-1-2-12(8-14)11-27-15-5-4-13-10-22(20(26)16(13)9-15)17-6-7-18(24)21-19(17)25/h1-5,8-9,17,23H,6-7,10-11H2,(H,21,24,25)
InChIKeyISFJUFJNJXXODF-UHFFFAOYSA-N
XLogP1.73
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
3-[7-[(3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53354514
3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342515
3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154670624
3-[6-(2-bromoethoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167272836
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-iodoiodanuidylcarbamate
CID 166074298
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-3-(methoxymethyl)benzenesulfonamide
CID 166426836
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 164583864

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170905195) is 3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(OCc4cccc(O)c4)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ISFJUFJNJXXODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-14-3-1-2-12(8-14)11-27-15-5-4-13-10-22(20(26)16(13)9-15)17-6-7-18(24)21-19(17)25/h1-5,8-9,17,23H,6-7,10-11H2,(H,21,24,25).
What are the key properties of 3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 366.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170905195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).