2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol

C22H17F3N2O2 — CID 123630630

IUPAC2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol
SMILESOCCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)16-5-10-21(26-13-16)29-18-8-6-17(7-9-18)27-14-15(11-12-28)19-3-1-2-4-20(19)27/h1-10,13-14,28H,11-12H2
InChIKeyDVXVLYAYEKCGJL-UHFFFAOYSA-N
MW398.38 g/mol
LogP5.37
Rot. Bonds5

About 2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol

2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol (PubChem CID 123630630) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol
PubChem CID123630630
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol
SMILESOCCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)16-5-10-21(26-13-16)29-18-8-6-17(7-9-18)27-14-15(11-12-28)19-3-1-2-4-20(19)27/h1-10,13-14,28H,11-12H2
InChIKeyDVXVLYAYEKCGJL-UHFFFAOYSA-N
XLogP5.37
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pipendoxifene
CID 6433099
5-(Benzyloxy)tryptamine
CID 89576
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
5-Benzyloxy-3-(2-hydroxyethyl)indole
CID 744849
N-Methyl-5-benzyloxyindole
CID 259196
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 9800737
3-Benzyloxy-9H-beta-carboline
CID 10335601
1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368
1,6-Bis(4-propan-2-yloxyphenyl)indole
CID 134179284
1-(4-methoxyphenyl)-1H-indole
CID 775715
1H-Indole-3-ethanamine, N,N'-dimethyl-5-(phenylmethoxy)-
CID 59022
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol?
The IUPAC name of 2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol (CID 123630630) is 2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol.
What is the SMILES notation for 2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol?
The canonical SMILES for 2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol is OCCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol?
The InChIKey is DVXVLYAYEKCGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c23-22(24,25)16-5-10-21(26-13-16)29-18-8-6-17(7-9-18)27-14-15(11-12-28)19-3-1-2-4-20(19)27/h1-10,13-14,28H,11-12H2.
What are the key properties of 2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol?
2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol has a molecular weight of 398.38 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]ethanol is sourced from PubChem (CID 123630630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).