5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C20H19F3N2O3 — CID 90710305

IUPAC5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccc(N3CCOCC3)cc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)28-17-4-1-14(2-5-17)12-25-13-15-11-16(3-6-18(15)19(25)26)24-7-9-27-10-8-24/h1-6,11,13,26H,7-10,12H2
InChIKeyWYNJIXHEWSUYTH-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.13
Rot. Bonds4

About 5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90710305) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90710305
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccc(N3CCOCC3)cc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)28-17-4-1-14(2-5-17)12-25-13-15-11-16(3-6-18(15)19(25)26)24-7-9-27-10-8-24/h1-6,11,13,26H,7-10,12H2
InChIKeyWYNJIXHEWSUYTH-UHFFFAOYSA-N
XLogP4.13
TPSA46.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Dimethyl-2-(4-(1-methyl-2-phenyl-3-indolizinyl)phenoxy)ethanamine
CID 389733
1-pyridin-2-yl-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57404021
[1-[(2,4-Difluorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967130
4-[5-Fluoro-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenol
CID 9804201
3-Methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]indol-5-ol
CID 9914767
2-[1-[4-[4-(Trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridin-3-yl]ethanol
CID 122197912
US9714221, Example 87
CID 130232376
2-[5-[4-[2-(Dimethylamino)ethoxy]phenyl]-3-pyridinyl]-1-[3-(dimethylamino)propyl]indol-5-ol
CID 44560333
2-(Hydroxymethyl)-3-(6-methoxypyridin-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-5-carbonitrile
CID 118714118
(1-(3-methoxybenzyl)-3-(6-methoxypyridin-3-yl)-5-(trifluoromethyl)-1H-indol-2-yl)methanol
CID 118953471
[1-[(2-Fluorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967088
[1-Benzyl-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967102

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90710305) is 5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is Oc1c2ccc(N3CCOCC3)cc2cn1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is WYNJIXHEWSUYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)28-17-4-1-14(2-5-17)12-25-13-15-11-16(3-6-18(15)19(25)26)24-7-9-27-10-8-24/h1-6,11,13,26H,7-10,12H2.
What are the key properties of 5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 392.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90710305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).