6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol

C19H17F2NO2 — CID 156878358

IUPAC6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol
SMILESOc1cc(F)cc2c1cc(C1CCOCC1)n2-c1ccc(F)cc1
InChIInChI=1S/C19H17F2NO2/c20-13-1-3-15(4-2-13)22-17(12-5-7-24-8-6-12)11-16-18(22)9-14(21)10-19(16)23/h1-4,9-12,23H,5-8H2
InChIKeyUBPLALJTHFKKNC-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.51
Rot. Bonds2

About 6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol

6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol (PubChem CID 156878358) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol.

Molecular Properties

Compound Name6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol
PubChem CID156878358
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC Name6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol
SMILESOc1cc(F)cc2c1cc(C1CCOCC1)n2-c1ccc(F)cc1
InChIInChI=1S/C19H17F2NO2/c20-13-1-3-15(4-2-13)22-17(12-5-7-24-8-6-12)11-16-18(22)9-14(21)10-19(16)23/h1-4,9-12,23H,5-8H2
InChIKeyUBPLALJTHFKKNC-UHFFFAOYSA-N
XLogP4.51
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxycarbazole
CID 104251
2-(1-Methylindol-2-yl)phenol
CID 901192
1-Methyl-2-(4-hydroxyphenyl)-6-hydroxy-indole
CID 13408377
2-(4-Hydroxyphenyl)-1,3-dimethylindol-6-ol
CID 13408381
1-Ethyl-2-(4-hydroxyphenyl)-3-methyl-1H-indol-6-ol
CID 13408382
1,3-Diethyl-2-(4-hydroxyphenyl)indol-6-ol
CID 13408386
9-Octylcarbazol-2-ol
CID 15208713
Phenol, 2,2',2''-1H-indole-1,2,3-triyltris(methylene))tris-
CID 185372
1H-Indole, 1,2-diphenyl-4-(oxiranylmethoxy)-
CID 53497
1-Ethyl-2-(4-hydroxyphenyl)indol-6-ol
CID 13408378
2-(4-Hydroxyphenyl)-1-propyl-1H-indol-6-ol
CID 13408379
1-Butyl-2-(4-hydroxyphenyl)indol-6-ol
CID 13408380

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol?
The IUPAC name of 6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol (CID 156878358) is 6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol.
What is the SMILES notation for 6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol?
The canonical SMILES for 6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol is Oc1cc(F)cc2c1cc(C1CCOCC1)n2-c1ccc(F)cc1.
What is the InChIKey of 6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol?
The InChIKey is UBPLALJTHFKKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c20-13-1-3-15(4-2-13)22-17(12-5-7-24-8-6-12)11-16-18(22)9-14(21)10-19(16)23/h1-4,9-12,23H,5-8H2.
What are the key properties of 6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol?
6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol has a molecular weight of 329.35 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-fluorophenyl)-2-(oxan-4-yl)indol-4-ol is sourced from PubChem (CID 156878358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).