2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol

C21H26FNO3 — CID 123185299

IUPAC2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol
SMILESCOc1cc(CCC(C)N2Cc3ccc(F)cc3C2)ccc1OCCO
InChIInChI=1S/C21H26FNO3/c1-15(23-13-17-6-7-19(22)12-18(17)14-23)3-4-16-5-8-20(26-10-9-24)21(11-16)25-2/h5-8,11-12,15,24H,3-4,9-10,13-14H2,1-2H3
InChIKeyFCLQKBPRTZWHGX-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.54
Rot. Bonds8

About 2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol

2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol (PubChem CID 123185299) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol
PubChem CID123185299
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol
SMILESCOc1cc(CCC(C)N2Cc3ccc(F)cc3C2)ccc1OCCO
InChIInChI=1S/C21H26FNO3/c1-15(23-13-17-6-7-19(22)12-18(17)14-23)3-4-16-5-8-20(26-10-9-24)21(11-16)25-2/h5-8,11-12,15,24H,3-4,9-10,13-14H2,1-2H3
InChIKeyFCLQKBPRTZWHGX-UHFFFAOYSA-N
XLogP3.54
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 162310143
2-[(2R)-4-[3,4-di(propan-2-yloxy)phenyl]butan-2-yl]-5-fluoro-1,3-dihydroisoindole;hydrochloride
CID 162308369
5-fluoro-2-[4-(4-fluorophenyl)butan-2-yl]-1,3-dihydroisoindole
CID 123887451
[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-(trifluoromethoxy)phenyl] N,N-dimethylcarbamate
CID 123744515
4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol
CID 123497705
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892
2-[4-[3-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3,4-di(propan-2-yloxy)phenyl]-2-methylbutan-2-yl]-5-fluoro-1,3-dihydroisoindole;2-[4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methoxyphenoxy]ethanol;4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]-2-methylphenol;5-fluoro-2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-1,3-dihydroisoindole;6-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole;2-[4-(4-fluorophenyl)-2-methylbutan-2-yl]-5,6-dimethoxy-1,3-dihydroisoindole
CID 161312102
4-[(3R)-3-(1,3-dihydrobenzo[e]isoindol-2-yl)butyl]-2-methoxyphenol
CID 118283014
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
(1R,5S)-3-(4-fluorophenyl)-8-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 92594258
ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
CID 145133787

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol?
The IUPAC name of 2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol (CID 123185299) is 2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol.
What is the SMILES notation for 2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol?
The canonical SMILES for 2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol is COc1cc(CCC(C)N2Cc3ccc(F)cc3C2)ccc1OCCO.
What is the InChIKey of 2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol?
The InChIKey is FCLQKBPRTZWHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-15(23-13-17-6-7-19(22)12-18(17)14-23)3-4-16-5-8-20(26-10-9-24)21(11-16)25-2/h5-8,11-12,15,24H,3-4,9-10,13-14H2,1-2H3.
What are the key properties of 2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol?
2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol has a molecular weight of 359.44 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-fluoro-1,3-dihydroisoindol-2-yl)butyl]-2-methoxyphenoxy]ethanol is sourced from PubChem (CID 123185299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).