3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol

C16H14F2N2O4 — CID 68819211

IUPAC3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol
SMILESOCC(O)COc1cc(Oc2ccc(F)cc2F)cc2[nH]ncc12
InChIInChI=1S/C16H14F2N2O4/c17-9-1-2-15(13(18)3-9)24-11-4-14-12(6-19-20-14)16(5-11)23-8-10(22)7-21/h1-6,10,21-22H,7-8H2,(H,19,20)
InChIKeyCHKCUPVMERUFGU-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.37
Rot. Bonds6

About 3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol

3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol (PubChem CID 68819211) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol
PubChem CID68819211
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol
SMILESOCC(O)COc1cc(Oc2ccc(F)cc2F)cc2[nH]ncc12
InChIInChI=1S/C16H14F2N2O4/c17-9-1-2-15(13(18)3-9)24-11-4-14-12(6-19-20-14)16(5-11)23-8-10(22)7-21/h1-6,10,21-22H,7-8H2,(H,19,20)
InChIKeyCHKCUPVMERUFGU-UHFFFAOYSA-N
XLogP2.37
TPSA87.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol with MolForge

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Related Compounds

1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol
CID 109415416
2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid
CID 82843214
1-[4-(2,4-difluorophenoxy)-2-fluoro-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)anilino]propan-2-ol
CID 91288233
1-[4-(2,4-difluorophenoxy)-2,6-difluoro-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)anilino]-2-methylpropan-2-ol
CID 90991783
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 107695240
4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
CID 158266288
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333
(2R)-1-(2,4-difluorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 95582635
4-(2,4-difluorophenoxy)-6-methoxy-1H-indole
CID 167433327
3-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]propane-1,2-diol
CID 142794915

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol?
The IUPAC name of 3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol (CID 68819211) is 3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol.
What is the SMILES notation for 3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol?
The canonical SMILES for 3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol is OCC(O)COc1cc(Oc2ccc(F)cc2F)cc2[nH]ncc12.
What is the InChIKey of 3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol?
The InChIKey is CHKCUPVMERUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c17-9-1-2-15(13(18)3-9)24-11-4-14-12(6-19-20-14)16(5-11)23-8-10(22)7-21/h1-6,10,21-22H,7-8H2,(H,19,20).
What are the key properties of 3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol?
3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol has a molecular weight of 336.29 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol is sourced from PubChem (CID 68819211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).