2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol

C20H15FN2O — CID 163234055

IUPAC2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol
SMILESCc1cccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c1
InChIInChI=1S/C20H15FN2O/c1-13-3-2-4-14(9-13)15-5-8-19-16(10-15)12-22-23(19)17-6-7-18(21)20(24)11-17/h2-12,24H,1H3
InChIKeyZKXSJHYEAYEJPR-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.85
Rot. Bonds2

About 2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol

2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol (PubChem CID 163234055) has the molecular formula C20H15FN2O and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol
PubChem CID163234055
Molecular FormulaC20H15FN2O
Molecular Weight318.35 g/mol
Exact Mass318.12
IUPAC Name2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol
SMILESCc1cccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c1
InChIInChI=1S/C20H15FN2O/c1-13-3-2-4-14(9-13)15-5-8-19-16(10-15)12-22-23(19)17-6-7-18(21)20(24)11-17/h2-12,24H,1H3
InChIKeyZKXSJHYEAYEJPR-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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Related Compounds

2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888391
4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135433989
4-(1-(3-Fluorophenyl)-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135492495
4-(6-Hydroxy-1-(p-tolyl)-1H-indazol-3-yl)benzene-1,3-diol
CID 135511945
4-(1-(2,5-Difluorophenyl)-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135540483
3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol
CID 135567434
4-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831087
3-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831397
2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-m-tolylethanol
CID 46888416
3-(2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-hydroxyethyl)benzonitrile
CID 46888440
2-Fluoro-5-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]benzonitrile;hydrochloride
CID 46888442
2-chloro-4-(2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-hydroxyethyl)benzonitrile
CID 46888443

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol?
The IUPAC name of 2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol (CID 163234055) is 2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol.
What is the SMILES notation for 2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol?
The canonical SMILES for 2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol is Cc1cccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c1.
What is the InChIKey of 2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol?
The InChIKey is ZKXSJHYEAYEJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O/c1-13-3-2-4-14(9-13)15-5-8-19-16(10-15)12-22-23(19)17-6-7-18(21)20(24)11-17/h2-12,24H,1H3.
What are the key properties of 2-fluoro-5-[5-(3-methylphenyl)indazol-1-yl]phenol?
2-fluoro-5-[5-(3-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-(3-methylphenyl)indazol-1-yl]phenol is sourced from PubChem (CID 163234055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).