4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol

C20H23NO4 — CID 123497705

IUPAC4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol
SMILESCOc1cc(CCC(C)N2Cc3cc4c(cc3C2)OCO4)ccc1O
InChIInChI=1S/C20H23NO4/c1-13(3-4-14-5-6-17(22)18(7-14)23-2)21-10-15-8-19-20(25-12-24-19)9-16(15)11-21/h5-9,13,22H,3-4,10-12H2,1-2H3
InChIKeyFUSCVNVOEODHTI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.47
Rot. Bonds5

About 4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol

4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol (PubChem CID 123497705) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol
PubChem CID123497705
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol
SMILESCOc1cc(CCC(C)N2Cc3cc4c(cc3C2)OCO4)ccc1O
InChIInChI=1S/C20H23NO4/c1-13(3-4-14-5-6-17(22)18(7-14)23-2)21-10-15-8-19-20(25-12-24-19)9-16(15)11-21/h5-9,13,22H,3-4,10-12H2,1-2H3
InChIKeyFUSCVNVOEODHTI-UHFFFAOYSA-N
XLogP3.47
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol with MolForge

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Related Compounds

4-[(3R)-3-(1,3-dihydrobenzo[e]isoindol-2-yl)butyl]-2-methoxyphenol
CID 118283014
4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane
CID 144539907
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
4-[(3R)-3-(5,6-dichloro-2,3-dihydro-1H-inden-2-yl)butyl]-2-methoxyphenol
CID 170737289
2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol
CID 123185299
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206
4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
CID 161393125
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol?
The IUPAC name of 4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol (CID 123497705) is 4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol is COc1cc(CCC(C)N2Cc3cc4c(cc3C2)OCO4)ccc1O.
What is the InChIKey of 4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol?
The InChIKey is FUSCVNVOEODHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(3-4-14-5-6-17(22)18(7-14)23-2)21-10-15-8-19-20(25-12-24-19)9-16(15)11-21/h5-9,13,22H,3-4,10-12H2,1-2H3.
What are the key properties of 4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol?
4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol has a molecular weight of 341.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol is sourced from PubChem (CID 123497705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).