4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol

C16H11F2NO — CID 91029155

IUPAC4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol
SMILESC=Cc1c(O)[nH]c2cccc(-c3c(F)cccc3F)c12
InChIInChI=1S/C16H11F2NO/c1-2-9-14-10(5-3-8-13(14)19-16(9)20)15-11(17)6-4-7-12(15)18/h2-8,19-20H,1H2
InChIKeyJXWKNIMMWDZRBM-UHFFFAOYSA-N
MW271.27 g/mol
LogP4.46
Rot. Bonds2

About 4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol

4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol (PubChem CID 91029155) has the molecular formula C16H11F2NO and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol
PubChem CID91029155
Molecular FormulaC16H11F2NO
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol
SMILESC=Cc1c(O)[nH]c2cccc(-c3c(F)cccc3F)c12
InChIInChI=1S/C16H11F2NO/c1-2-9-14-10(5-3-8-13(14)19-16(9)20)15-11(17)6-4-7-12(15)18/h2-8,19-20H,1H2
InChIKeyJXWKNIMMWDZRBM-UHFFFAOYSA-N
XLogP4.46
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-Hydroxycarbazole
CID 93551
4-Hydroxycarbazole
CID 104251
Phenol, 4,4'-indole-2,3-diyldi-
CID 201385
Indirubin deriv. 8h
CID 135434954
Carazostatin
CID 130857
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
4-(2-phenyl-1H-indol-3-yl)phenol
CID 13896065
4-(3-phenyl-1H-indol-2-yl)phenol
CID 44405867
Indirubin E804
CID 135398511
Indirubin deriv. 9b
CID 135434955
Indirubin-3-methoxime
CID 136043836
Indirubin-3-acetoxime
CID 136043837

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol?
The IUPAC name of 4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol (CID 91029155) is 4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol.
What is the SMILES notation for 4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol?
The canonical SMILES for 4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol is C=Cc1c(O)[nH]c2cccc(-c3c(F)cccc3F)c12.
What is the InChIKey of 4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol?
The InChIKey is JXWKNIMMWDZRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO/c1-2-9-14-10(5-3-8-13(14)19-16(9)20)15-11(17)6-4-7-12(15)18/h2-8,19-20H,1H2.
What are the key properties of 4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol?
4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol has a molecular weight of 271.27 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-3-ethenyl-1H-indol-2-ol is sourced from PubChem (CID 91029155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).