3-(1H-indazol-4-yl)phenol

C13H10N2O — CID 83445848

IUPAC3-(1H-indazol-4-yl)phenol
SMILESOc1cccc(-c2cccc3[nH]ncc23)c1
InChIInChI=1S/C13H10N2O/c16-10-4-1-3-9(7-10)11-5-2-6-13-12(11)8-14-15-13/h1-8,16H,(H,14,15)
InChIKeyJKPHTTZZRKBZKE-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.94
Rot. Bonds1

About 3-(1H-indazol-4-yl)phenol

3-(1H-indazol-4-yl)phenol (PubChem CID 83445848) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(1H-indazol-4-yl)phenol.

Molecular Properties

Compound Name3-(1H-indazol-4-yl)phenol
PubChem CID83445848
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name3-(1H-indazol-4-yl)phenol
SMILESOc1cccc(-c2cccc3[nH]ncc23)c1
InChIInChI=1S/C13H10N2O/c16-10-4-1-3-9(7-10)11-5-2-6-13-12(11)8-14-15-13/h1-8,16H,(H,14,15)
InChIKeyJKPHTTZZRKBZKE-UHFFFAOYSA-N
XLogP2.94
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-4-yl)phenol?
The IUPAC name of 3-(1H-indazol-4-yl)phenol (CID 83445848) is 3-(1H-indazol-4-yl)phenol.
What is the SMILES notation for 3-(1H-indazol-4-yl)phenol?
The canonical SMILES for 3-(1H-indazol-4-yl)phenol is Oc1cccc(-c2cccc3[nH]ncc23)c1.
What is the InChIKey of 3-(1H-indazol-4-yl)phenol?
The InChIKey is JKPHTTZZRKBZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-10-4-1-3-9(7-10)11-5-2-6-13-12(11)8-14-15-13/h1-8,16H,(H,14,15).
What are the key properties of 3-(1H-indazol-4-yl)phenol?
3-(1H-indazol-4-yl)phenol has a molecular weight of 210.24 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-4-yl)phenol is sourced from PubChem (CID 83445848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).