2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol

C16H12F3NO2 — CID 117176788

IUPAC2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]c(COc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)11-1-4-14(5-2-11)22-9-12-7-10-8-13(21)3-6-15(10)20-12/h1-8,20-21H,9H2
InChIKeyHGVYJAPHQANWJU-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.47
Rot. Bonds3

About 2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol

2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol (PubChem CID 117176788) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol
PubChem CID117176788
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]c(COc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)11-1-4-14(5-2-11)22-9-12-7-10-8-13(21)3-6-15(10)20-12/h1-8,20-21H,9H2
InChIKeyHGVYJAPHQANWJU-UHFFFAOYSA-N
XLogP4.47
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-methyl-1H-indol-2-yl)methoxy]phenol
CID 117185406
2-(aminooxymethyl)-1H-indol-5-ol
CID 117195343
4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one
CID 54495061
2-(aminomethyl)-1H-indol-5-ol
CID 14906013
2-[(4-methylphenoxy)methyl]-1H-indol-5-amine
CID 117176790
[5-(trifluoromethyl)-1H-indol-2-yl]methyl propanoate
CID 174546520
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
CID 117180212
[5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117195095
2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221218
2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117173198
2-(5-hydroxy-1H-indol-2-yl)acetaldehyde
CID 22134437

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol?
The IUPAC name of 2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol (CID 117176788) is 2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol is Oc1ccc2[nH]c(COc3ccc(C(F)(F)F)cc3)cc2c1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol?
The InChIKey is HGVYJAPHQANWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)11-1-4-14(5-2-11)22-9-12-7-10-8-13(21)3-6-15(10)20-12/h1-8,20-21H,9H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol?
2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol has a molecular weight of 307.27 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol is sourced from PubChem (CID 117176788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).