2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol

C22H16F3NO2 — CID 90821580

IUPAC2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H16F3NO2/c23-22(24,25)17-7-11-19(12-8-17)28-18-9-5-15(6-10-18)13-26-14-16-3-1-2-4-20(16)21(26)27/h1-12,14,27H,13H2
InChIKeyFDGZXXFRMVJIIM-UHFFFAOYSA-N
MW383.37 g/mol
LogP6.21
Rot. Bonds4

About 2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol

2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol (PubChem CID 90821580) has the molecular formula C22H16F3NO2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol
PubChem CID90821580
Molecular FormulaC22H16F3NO2
Molecular Weight383.37 g/mol
Exact Mass383.11
IUPAC Name2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H16F3NO2/c23-22(24,25)17-7-11-19(12-8-17)28-18-9-5-15(6-10-18)13-26-14-16-3-1-2-4-20(16)21(26)27/h1-12,14,27H,13H2
InChIKeyFDGZXXFRMVJIIM-UHFFFAOYSA-N
XLogP6.21
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol
CID 54767341
2-[[3,4-Bis(4-methoxyphenyl)pyrrol-1-yl]methyl]phenol
CID 137647596
4-[4-(4-Hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137649614
4-[[3,4-Bis(4-methoxyphenyl)pyrrol-1-yl]methyl]phenol
CID 137653346
4-[4-(4-Hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137655011
4-[4-(4-Hydroxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137656591
1-(4-Methoxybenzyl)-3,4-bis(4-methoxyphenyl)-1h-pyrrole
CID 134686900
2-[[3-(Trifluoromethoxy)phenyl]methyl]isoquinolin-2-ium-7-ol
CID 23806736
1-[1-Hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-isoquinolin-4-ylpiperidin-4-ol
CID 21198118
1-[1-[4-(3-Fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]pyrrole-2,5-diol
CID 53992887
6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54194048
1-[1-[4-(4-Fluorophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]pyrrole-2,5-diol
CID 54439809

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol?
The IUPAC name of 2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol (CID 90821580) is 2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol is Oc1c2ccccc2cn1Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol?
The InChIKey is FDGZXXFRMVJIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO2/c23-22(24,25)17-7-11-19(12-8-17)28-18-9-5-15(6-10-18)13-26-14-16-3-1-2-4-20(16)21(26)27/h1-12,14,27H,13H2.
What are the key properties of 2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol?
2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol has a molecular weight of 383.37 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90821580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).