2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol

C19H15F3N2O2 — CID 91114140

IUPAC2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol
SMILESCn1ccc2cc(-n3cc4ccc(OCC(F)(F)F)cc4c3O)ccc21
InChIInChI=1S/C19H15F3N2O2/c1-23-7-6-12-8-14(3-5-17(12)23)24-10-13-2-4-15(9-16(13)18(24)25)26-11-19(20,21)22/h2-10,25H,11H2,1H3
InChIKeyAVQPFNYBDJKRHW-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.77
Rot. Bonds3

About 2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol

2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol (PubChem CID 91114140) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol.

Molecular Properties

Compound Name2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol
PubChem CID91114140
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol
SMILESCn1ccc2cc(-n3cc4ccc(OCC(F)(F)F)cc4c3O)ccc21
InChIInChI=1S/C19H15F3N2O2/c1-23-7-6-12-8-14(3-5-17(12)23)24-10-13-2-4-15(9-16(13)18(24)25)26-11-19(20,21)22/h2-10,25H,11H2,1H3
InChIKeyAVQPFNYBDJKRHW-UHFFFAOYSA-N
XLogP4.77
TPSA39.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methyl-5-benzyloxyindole
CID 259196
[1-[(4-Methoxyphenyl)methyl]indol-3-yl]methanol
CID 20109674
2-(5-(2-((4-(trifluoromethyl)phenoxy)methyl)benzyloxy)-1H-indol-1-yl)acetic acid
CID 44432408
5-{4-[3-(1,2-Dihydroxyethyl)-1H-indol-1-yl]phenoxy}-2-(trifluoromethyl)benzonitrile
CID 54765766
5-[4-[3-[(2S)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile
CID 54765936
5-[4-[3-[(2R)-2-amino-3-hydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile
CID 54766092
5-[4-[3-[(2S)-2,3-dihydroxypropyl]indol-1-yl]phenoxy]-2-(trifluoromethyl)benzonitrile
CID 54766096
(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol
CID 54767341
US9714221, Example 126
CID 130232817
4-[2-[3-(2-Aminoethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]indol-5-yl]oxyethyl]phenol;hydrochloride
CID 46845701
4-[2-[3-(2-Aminoethyl)-1-(5-phenylpentyl)indol-5-yl]oxyethyl]phenol;hydrochloride
CID 46888598
4-[2-[3-(2-Aminoethyl)-1-[5-(4-methoxyphenyl)pentyl]indol-5-yl]oxyethyl]phenol;hydrochloride
CID 46888602

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol?
The IUPAC name of 2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol (CID 91114140) is 2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol.
What is the SMILES notation for 2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol?
The canonical SMILES for 2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol is Cn1ccc2cc(-n3cc4ccc(OCC(F)(F)F)cc4c3O)ccc21.
What is the InChIKey of 2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol?
The InChIKey is AVQPFNYBDJKRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-23-7-6-12-8-14(3-5-17(12)23)24-10-13-2-4-15(9-16(13)18(24)25)26-11-19(20,21)22/h2-10,25H,11H2,1H3.
What are the key properties of 2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol?
2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol has a molecular weight of 360.34 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol is sourced from PubChem (CID 91114140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).