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

C20H16N2O3 — CID 135433930

IUPAC4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol
SMILESCc1cccc(-n2nc(-c3ccc(O)cc3O)c3ccc(O)cc32)c1
InChIInChI=1S/C20H16N2O3/c1-12-3-2-4-13(9-12)22-18-10-14(23)5-7-16(18)20(21-22)17-8-6-15(24)11-19(17)25/h2-11,23-25H,1H3
InChIKeyJHFHJNCYOXICGI-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.12
Rot. Bonds2

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

4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol (PubChem CID 135433930) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol
PubChem CID135433930
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol
SMILESCc1cccc(-n2nc(-c3ccc(O)cc3O)c3ccc(O)cc32)c1
InChIInChI=1S/C20H16N2O3/c1-12-3-2-4-13(9-12)22-18-10-14(23)5-7-16(18)20(21-22)17-8-6-15(24)11-19(17)25/h2-11,23-25H,1H3
InChIKeyJHFHJNCYOXICGI-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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Frequently Asked Questions

What is the IUPAC name of 4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol?
The IUPAC name of 4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol (CID 135433930) is 4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol?
The canonical SMILES for 4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol is Cc1cccc(-n2nc(-c3ccc(O)cc3O)c3ccc(O)cc32)c1.
What is the InChIKey of 4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol?
The InChIKey is JHFHJNCYOXICGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12-3-2-4-13(9-12)22-18-10-14(23)5-7-16(18)20(21-22)17-8-6-15(24)11-19(17)25/h2-11,23-25H,1H3.
What are the key properties of 4-[6-hydroxy-1-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol?
4-[6-hydroxy-1-(3-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-(3-methylphenyl)indazol-3-yl]benzene-1,3-diol is sourced from PubChem (CID 135433930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).