4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol

C19H20N2O3 — CID 135499972

IUPAC4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nn(C3CCCCC3)c3cc(O)ccc23)c(O)c1
InChIInChI=1S/C19H20N2O3/c22-13-6-8-15-17(10-13)21(12-4-2-1-3-5-12)20-19(15)16-9-7-14(23)11-18(16)24/h6-12,22-24H,1-5H2
InChIKeyQMJSDDUXUCNLMV-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.33
Rot. Bonds2

About 4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol

4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol (PubChem CID 135499972) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol
PubChem CID135499972
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol
SMILESOc1ccc(-c2nn(C3CCCCC3)c3cc(O)ccc23)c(O)c1
InChIInChI=1S/C19H20N2O3/c22-13-6-8-15-17(10-13)21(12-4-2-1-3-5-12)20-19(15)16-9-7-14(23)11-18(16)24/h6-12,22-24H,1-5H2
InChIKeyQMJSDDUXUCNLMV-UHFFFAOYSA-N
XLogP4.33
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol (CID 135499972) is 4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol is Oc1ccc(-c2nn(C3CCCCC3)c3cc(O)ccc23)c(O)c1.
What is the InChIKey of 4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol?
The InChIKey is QMJSDDUXUCNLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-13-6-8-15-17(10-13)21(12-4-2-1-3-5-12)20-19(15)16-9-7-14(23)11-18(16)24/h6-12,22-24H,1-5H2.
What are the key properties of 4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol?
4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol has a molecular weight of 324.38 g/mol, XLogP of 4.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyl-6-hydroxyindazol-3-yl)benzene-1,3-diol is sourced from PubChem (CID 135499972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).