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

C21H23NO6 — CID 56988950

IUPAC4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione
SMILESCCCOc1cc(C(CCO)N2C(=O)c3cccc(O)c3C2=O)ccc1OC
InChIInChI=1S/C21H23NO6/c1-3-11-28-18-12-13(7-8-17(18)27-2)15(9-10-23)22-20(25)14-5-4-6-16(24)19(14)21(22)26/h4-8,12,15,23-24H,3,9-11H2,1-2H3
InChIKeyLIIXMNARHWPKOM-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.91
Rot. Bonds8

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

4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione (PubChem CID 56988950) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione
PubChem CID56988950
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione
SMILESCCCOc1cc(C(CCO)N2C(=O)c3cccc(O)c3C2=O)ccc1OC
InChIInChI=1S/C21H23NO6/c1-3-11-28-18-12-13(7-8-17(18)27-2)15(9-10-23)22-20(25)14-5-4-6-16(24)19(14)21(22)26/h4-8,12,15,23-24H,3,9-11H2,1-2H3
InChIKeyLIIXMNARHWPKOM-UHFFFAOYSA-N
XLogP2.91
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[3-hydroxy-1-(4-methoxy-3-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione
CID 57042804
2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenylmethoxybutyl]-4-hydroxyisoindole-1,3-dione
CID 58295861
methyl (3R)-3-(4-amino-1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoate
CID 146197051
2-[4-amino-1-(3,4-dimethoxyphenyl)butyl]-4-[3-(dimethylamino)propoxy]isoindole-1,3-dione
CID 67140204
2-[(1R)-4-amino-1-(3,4-dimethoxyphenyl)butyl]-4-[3-(dimethylamino)propoxy]isoindole-1,3-dione
CID 58296024
2-[2-[1-(3-ethoxy-4-methoxyphenyl)-3-oxobutyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 123222376
3-(3-ethoxy-4-methoxyphenyl)-N-hydroxy-3-[4-(methylamino)-1,3-dioxoisoindol-2-yl]propanamide
CID 142645659
4-amino-2-[1-(3-hydroxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindole-1,3-dione
CID 67976249
2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-methylisoindole-1,3-dione
CID 19361840
methyl 3-(3-ethoxy-4-methoxyphenyl)-3-[4-(methylamino)-1,3-dioxoisoindol-2-yl]propanoate
CID 151632184
2-[(1S)-2-amino-1-(3-ethoxy-4-methoxyphenyl)ethyl]isoindole-1,3-dione
CID 67991542
2-[1-(3-ethoxy-4-methoxyphenyl)-3-hydroxybutyl]isoindole-1,3-dione
CID 141117216

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione?
The IUPAC name of 4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione (CID 56988950) is 4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione?
The canonical SMILES for 4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione is CCCOc1cc(C(CCO)N2C(=O)c3cccc(O)c3C2=O)ccc1OC.
What is the InChIKey of 4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione?
The InChIKey is LIIXMNARHWPKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-3-11-28-18-12-13(7-8-17(18)27-2)15(9-10-23)22-20(25)14-5-4-6-16(24)19(14)21(22)26/h4-8,12,15,23-24H,3,9-11H2,1-2H3.
What are the key properties of 4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione?
4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione has a molecular weight of 385.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[3-hydroxy-1-(4-methoxy-3-propoxyphenyl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 56988950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).