4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol

C20H15FN2O2 — CID 170685688

IUPAC4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol
SMILESCc1cc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)ccc1O
InChIInChI=1S/C20H15FN2O2/c1-12-8-13(3-7-19(12)24)14-2-6-18-15(9-14)11-22-23(18)16-4-5-17(21)20(25)10-16/h2-11,24-25H,1H3
InChIKeyMMQHNVMZUIOTKR-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.55
Rot. Bonds2

About 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol

4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol (PubChem CID 170685688) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol
PubChem CID170685688
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol
SMILESCc1cc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)ccc1O
InChIInChI=1S/C20H15FN2O2/c1-12-8-13(3-7-19(12)24)14-2-6-18-15(9-14)11-22-23(18)16-4-5-17(21)20(25)10-16/h2-11,24-25H,1H3
InChIKeyMMQHNVMZUIOTKR-UHFFFAOYSA-N
XLogP4.55
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol?
The IUPAC name of 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol (CID 170685688) is 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol.
What is the SMILES notation for 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol?
The canonical SMILES for 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol is Cc1cc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)ccc1O.
What is the InChIKey of 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol?
The InChIKey is MMQHNVMZUIOTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-12-8-13(3-7-19(12)24)14-2-6-18-15(9-14)11-22-23(18)16-4-5-17(21)20(25)10-16/h2-11,24-25H,1H3.
What are the key properties of 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol?
4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol has a molecular weight of 334.35 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]-2-methylphenol is sourced from PubChem (CID 170685688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).