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

Related Compounds

1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one
CID 175092025
2-[4-(hydroxymethyl)phenyl]-1-(2-hydroxyphenyl)ethanone
CID 161011809
N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498034
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
2-(4-bromophenyl)-1-(2-hydroxyphenyl)ethanone
CID 118516182
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
CID 10729737
N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499402
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498051
iron;2-(2H-tetrazol-5-yl)acetic acid;zinc
CID 175714955
ethane;1-(2H-tetrazol-5-yl)propan-2-one
CID 156809476

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).