2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol

C20H15FN2O — CID 163233905

IUPAC2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol
SMILESCc1ccccc1-c1ccc2c(cnn2-c2ccc(F)c(O)c2)c1
InChIInChI=1S/C20H15FN2O/c1-13-4-2-3-5-17(13)14-6-9-19-15(10-14)12-22-23(19)16-7-8-18(21)20(24)11-16/h2-12,24H,1H3
InChIKeyRHLASQBANWJZEI-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.85
Rot. Bonds2

About 2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol

2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol (PubChem CID 163233905) has the molecular formula C20H15FN2O and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol
PubChem CID163233905
Molecular FormulaC20H15FN2O
Molecular Weight318.35 g/mol
Exact Mass318.12
IUPAC Name2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol
SMILESCc1ccccc1-c1ccc2c(cnn2-c2ccc(F)c(O)c2)c1
InChIInChI=1S/C20H15FN2O/c1-13-4-2-3-5-17(13)14-6-9-19-15(10-14)12-22-23(19)16-7-8-18(21)20(24)11-16/h2-12,24H,1H3
InChIKeyRHLASQBANWJZEI-UHFFFAOYSA-N
XLogP4.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol?
The IUPAC name of 2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol (CID 163233905) is 2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol.
What is the SMILES notation for 2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol?
The canonical SMILES for 2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol is Cc1ccccc1-c1ccc2c(cnn2-c2ccc(F)c(O)c2)c1.
What is the InChIKey of 2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol?
The InChIKey is RHLASQBANWJZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O/c1-13-4-2-3-5-17(13)14-6-9-19-15(10-14)12-22-23(19)16-7-8-18(21)20(24)11-16/h2-12,24H,1H3.
What are the key properties of 2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol?
2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol has a molecular weight of 318.35 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[5-(2-methylphenyl)indazol-1-yl]phenol is sourced from PubChem (CID 163233905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).