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

C20H18ClF3N2O3 — CID 90953838

IUPAC7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2c(Cl)cc(N3CCOCC3)cc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H18ClF3N2O3/c21-17-10-15(25-5-7-28-8-6-25)9-14-12-26(19(27)18(14)17)11-13-1-3-16(4-2-13)29-20(22,23)24/h1-4,9-10,12,27H,5-8,11H2
InChIKeyWGYKAPBPMRKOCP-UHFFFAOYSA-N
MW426.82 g/mol
LogP4.78
Rot. Bonds4

About 7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90953838) has the molecular formula C20H18ClF3N2O3 and a molecular weight of 426.82 g/mol. Its IUPAC name is 7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90953838
Molecular FormulaC20H18ClF3N2O3
Molecular Weight426.82 g/mol
Exact Mass426.10
IUPAC Name7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2c(Cl)cc(N3CCOCC3)cc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H18ClF3N2O3/c21-17-10-15(25-5-7-28-8-6-25)9-14-12-26(19(27)18(14)17)11-13-1-3-16(4-2-13)29-20(22,23)24/h1-4,9-10,12,27H,5-8,11H2
InChIKeyWGYKAPBPMRKOCP-UHFFFAOYSA-N
XLogP4.78
TPSA46.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.82
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-Chlorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967091
[1-[(2-Chlorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-6-(trifluoromethoxy)indol-2-yl]methanol
CID 118971371
[1-[(3-Chlorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967103
[1-[(2-Chlorophenyl)methyl]-3-pyridin-4-yl-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118971160
1-[(2R)-1-[4-(3-chloro-4-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]pyrrole-2,5-diol
CID 54210674
4-Chloro-6-(pyridin-2-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-dihydroisoindole
CID 69368602
5-Chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90703191
5-Morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90710305
2-[4-[7-Chloro-1-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-5-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 90715265
7-Chloro-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90754498
7-Chloro-6-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90762498
5-(4-Propylpiperazin-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90778566

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90953838) is 7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is Oc1c2c(Cl)cc(N3CCOCC3)cc2cn1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is WGYKAPBPMRKOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N2O3/c21-17-10-15(25-5-7-28-8-6-25)9-14-12-26(19(27)18(14)17)11-13-1-3-16(4-2-13)29-20(22,23)24/h1-4,9-10,12,27H,5-8,11H2.
What are the key properties of 7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 426.82 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-morpholin-4-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90953838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).