1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one

C14H12N2O2 — CID 70933361

IUPAC1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one
SMILESO=c1[nH]n(Cc2cccc(O)c2)c2ccccc12
InChIInChI=1S/C14H12N2O2/c17-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)14(18)15-16/h1-8,17H,9H2,(H,15,18)
InChIKeyDQXONARUXUSQOU-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.08
Rot. Bonds2

About 1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one

1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one (PubChem CID 70933361) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one
PubChem CID70933361
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one
SMILESO=c1[nH]n(Cc2cccc(O)c2)c2ccccc12
InChIInChI=1S/C14H12N2O2/c17-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)14(18)15-16/h1-8,17H,9H2,(H,15,18)
InChIKeyDQXONARUXUSQOU-UHFFFAOYSA-N
XLogP2.08
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one 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 1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one?
The IUPAC name of 1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one (CID 70933361) is 1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one.
What is the SMILES notation for 1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one?
The canonical SMILES for 1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one is O=c1[nH]n(Cc2cccc(O)c2)c2ccccc12.
What is the InChIKey of 1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one?
The InChIKey is DQXONARUXUSQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)14(18)15-16/h1-8,17H,9H2,(H,15,18).
What are the key properties of 1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one?
1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one has a molecular weight of 240.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one is sourced from PubChem (CID 70933361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).