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

C15H11ClF3NO2 — CID 140974859

IUPAC3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol
SMILESOc1ccc(Cl)cc1C1(O)CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11ClF3NO2/c16-9-2-4-13(21)11(6-9)14(22)7-20-12-5-8(15(17,18)19)1-3-10(12)14/h1-6,20-22H,7H2
InChIKeyVFMFHFZFHFIDMW-UHFFFAOYSA-N
MW329.71 g/mol
LogP3.73
Rot. Bonds1

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

3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol (PubChem CID 140974859) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol
PubChem CID140974859
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol
SMILESOc1ccc(Cl)cc1C1(O)CNc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11ClF3NO2/c16-9-2-4-13(21)11(6-9)14(22)7-20-12-5-8(15(17,18)19)1-3-10(12)14/h1-6,20-22H,7H2
InChIKeyVFMFHFZFHFIDMW-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)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol
CID 140974863
(3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 122490665
(3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one
CID 178002990
3-(5-chloro-2-hydroxyphenyl)-1,2-dihydrobenzo[g]indol-3-ol
CID 141045954
3-(5-chloro-2-methoxyphenyl)-6-iodo-1,2-dihydroindol-3-ol
CID 141045951
3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 10970879
3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 11145115
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 18412763
1-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropan-1-ol
CID 117117438
6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
CID 84736618
2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
CID 117333734

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol (CID 140974859) is 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol is Oc1ccc(Cl)cc1C1(O)CNc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol?
The InChIKey is VFMFHFZFHFIDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c16-9-2-4-13(21)11(6-9)14(22)7-20-12-5-8(15(17,18)19)1-3-10(12)14/h1-6,20-22H,7H2.
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol?
3-(5-chloro-2-hydroxyphenyl)-6-(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)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol is sourced from PubChem (CID 140974859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).