4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol

C20H16N2O3 — CID 135511945

IUPAC4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol
SMILESCc1ccc(-n2nc(-c3ccc(O)cc3O)c3ccc(O)cc32)cc1
InChIInChI=1S/C20H16N2O3/c1-12-2-4-13(5-3-12)22-18-10-14(23)6-8-16(18)20(21-22)17-9-7-15(24)11-19(17)25/h2-11,23-25H,1H3
InChIKeyFNMXQCQMYOCDSW-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.12
Rot. Bonds2

About 4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol

4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol (PubChem CID 135511945) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol
PubChem CID135511945
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol
SMILESCc1ccc(-n2nc(-c3ccc(O)cc3O)c3ccc(O)cc32)cc1
InChIInChI=1S/C20H16N2O3/c1-12-2-4-13(5-3-12)22-18-10-14(23)6-8-16(18)20(21-22)17-9-7-15(24)11-19(17)25/h2-11,23-25H,1H3
InChIKeyFNMXQCQMYOCDSW-UHFFFAOYSA-N
XLogP4.12
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Way-169916
CID 135461982
4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135566322
4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135438183
4-(1-(3-Fluorophenyl)-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135492495
4-(1-cyclohexyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135499972
4-[1-(3-chlorophenyl)-6-hydroxy-1H-indazol-3-yl]benzene-1,3-diol
CID 135500018
4-(1-(2,5-Dichlorophenyl)-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135508451
4-(6-hydroxy-1-propyl-1H-indazol-3-yl)benzene-1,3-diol
CID 135511863
4-(6-Hydroxy-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl)benzene-1,3-diol
CID 135511929
4-(1-butyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135524510
4-(1-(2,5-Difluorophenyl)-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135540483
4-(1-methyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135454762

Frequently Asked Questions

What is the IUPAC name of 4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol (CID 135511945) is 4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol is Cc1ccc(-n2nc(-c3ccc(O)cc3O)c3ccc(O)cc32)cc1.
What is the InChIKey of 4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol?
The InChIKey is FNMXQCQMYOCDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12-2-4-13(5-3-12)22-18-10-14(23)6-8-16(18)20(21-22)17-9-7-15(24)11-19(17)25/h2-11,23-25H,1H3.
What are the key properties of 4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol?
4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol has a molecular weight of 332.36 g/mol, XLogP of 4.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-hydroxy-1-(4-methylphenyl)indazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 135511945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).