1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone

C9H8N4O2 — CID 902451

IUPAC1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
SMILESO=C(Cc1nn[nH]n1)c1ccccc1O
InChIInChI=1S/C9H8N4O2/c14-7-4-2-1-3-6(7)8(15)5-9-10-12-13-11-9/h1-4,14H,5H2,(H,10,11,12,13)
InChIKeyHISCKGVWGVRJTC-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.33
Rot. Bonds3

About 1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone

1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone (PubChem CID 902451) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
PubChem CID902451
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
SMILESO=C(Cc1nn[nH]n1)c1ccccc1O
InChIInChI=1S/C9H8N4O2/c14-7-4-2-1-3-6(7)8(15)5-9-10-12-13-11-9/h1-4,14H,5H2,(H,10,11,12,13)
InChIKeyHISCKGVWGVRJTC-UHFFFAOYSA-N
XLogP0.33
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone 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-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone?
The IUPAC name of 1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone (CID 902451) is 1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone is O=C(Cc1nn[nH]n1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone?
The InChIKey is HISCKGVWGVRJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-7-4-2-1-3-6(7)8(15)5-9-10-12-13-11-9/h1-4,14H,5H2,(H,10,11,12,13).
What are the key properties of 1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone?
1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone has a molecular weight of 204.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone is sourced from PubChem (CID 902451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).