3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol

C15H11ClF3NO2 — CID 140974863

IUPAC3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol
SMILESOc1ccc(Cl)cc1C1(O)CNc2c(C(F)(F)F)cccc21
InChIInChI=1S/C15H11ClF3NO2/c16-8-4-5-12(21)11(6-8)14(22)7-20-13-9(14)2-1-3-10(13)15(17,18)19/h1-6,20-22H,7H2
InChIKeyBUAZKMCONHAPHX-UHFFFAOYSA-N
MW329.71 g/mol
LogP3.73
Rot. Bonds1

About 3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol

3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol (PubChem CID 140974863) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol
PubChem CID140974863
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol
SMILESOc1ccc(Cl)cc1C1(O)CNc2c(C(F)(F)F)cccc21
InChIInChI=1S/C15H11ClF3NO2/c16-8-4-5-12(21)11(6-8)14(22)7-20-13-9(14)2-1-3-10(13)15(17,18)19/h1-6,20-22H,7H2
InChIKeyBUAZKMCONHAPHX-UHFFFAOYSA-N
XLogP3.73
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol
CID 140974859
3-(5-chloro-2-hydroxyphenyl)-1,2-dihydrobenzo[g]indol-3-ol
CID 141045954
7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]
CID 106701762
1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol
CID 117117438
3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole
CID 106701959
1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]
CID 106701715
6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
CID 84736618
6-(trifluoromethyl)spiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclopentane]
CID 115099544
5-(trifluoromethyl)spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclobutane] 1,1-dioxide
CID 115097323
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol
CID 117103815
4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol
CID 13076846

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol (CID 140974863) is 3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol is Oc1ccc(Cl)cc1C1(O)CNc2c(C(F)(F)F)cccc21.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The InChIKey is BUAZKMCONHAPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c16-8-4-5-12(21)11(6-8)14(22)7-20-13-9(14)2-1-3-10(13)15(17,18)19/h1-6,20-22H,7H2.
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol?
3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol has a molecular weight of 329.71 g/mol, XLogP of 3.73, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol is sourced from PubChem (CID 140974863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).