3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol

C16H13ClF3NO2 — CID 70131549

IUPAC3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol
SMILESCOc1ccc(Cl)cc1C1(O)CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H13ClF3NO2/c1-23-14-5-3-10(17)7-12(14)15(22)8-21-13-6-9(16(18,19)20)2-4-11(13)15/h2-7,21-22H,8H2,1H3
InChIKeyYUTSGCAVHICISA-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.03
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol

3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol (PubChem CID 70131549) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol
PubChem CID70131549
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC Name3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol
SMILESCOc1ccc(Cl)cc1C1(O)CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H13ClF3NO2/c1-23-14-5-3-10(17)7-12(14)15(22)8-21-13-6-9(16(18,19)20)2-4-11(13)15/h2-7,21-22H,8H2,1H3
InChIKeyYUTSGCAVHICISA-UHFFFAOYSA-N
XLogP4.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-3-(2-methoxy-5-chlorophenyl)-6-(trifluoromethyl)indoline-2-one
CID 9968692
3-(5-chloro-2-methoxyphenyl)-3-hydroxy-5-(trifluoromethyl)-1H-indol-2-one
CID 10915301
(3S)-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 10155290
2-Amino-5-chloro-3-(2-ethoxy-5-fluoro-phenyl)indolin-3-ol
CID 86577054
3-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-(trifluoromethyl)-1H-indol-2-one
CID 9924925
(+/-)-3-[5-chloro-2-[4-(trifluoromethyl)phenyl-methoxy]phenyl]-1,3-dihydro-3-hydroxy-6-(trifluoromethyl)-2H-indole-2-one
CID 18412756
5-chloro-3-hydroxy-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-indol-2-one
CID 21905878
5-chloro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 23120650
3-(5-Chloro-2-methoxyphenyl)-3-fluoro-4,6-bis(trifluoromethyl)-1,2-dihydroindole
CID 88086385
3-(5-Chloro-2-hydroxyphenyl)-4,6-bis(trifluoromethyl)-1,2-dihydroindol-3-ol
CID 88097365
5-Chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine
CID 90998504
4-Chloro-2-[3-fluoro-6-(trifluoromethyl)-1,2-dihydroindol-3-yl]phenol
CID 140974857

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol (CID 70131549) is 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol is COc1ccc(Cl)cc1C1(O)CNc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The InChIKey is YUTSGCAVHICISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c1-23-14-5-3-10(17)7-12(14)15(22)8-21-13-6-9(16(18,19)20)2-4-11(13)15/h2-7,21-22H,8H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol?
3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol has a molecular weight of 343.73 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol is sourced from PubChem (CID 70131549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).