5-(3-phenoxyphenyl)-2H-tetrazole

C13H10N4O — CID 7010320

IUPAC5-(3-phenoxyphenyl)-2H-tetrazole
SMILESc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C13H10N4O/c1-2-6-11(7-3-1)18-12-8-4-5-10(9-12)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)
InChIKeyTYNITQBHBADQAR-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.66
Rot. Bonds3

About 5-(3-phenoxyphenyl)-2H-tetrazole

5-(3-phenoxyphenyl)-2H-tetrazole (PubChem CID 7010320) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-(3-phenoxyphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-phenoxyphenyl)-2H-tetrazole
PubChem CID7010320
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name5-(3-phenoxyphenyl)-2H-tetrazole
SMILESc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C13H10N4O/c1-2-6-11(7-3-1)18-12-8-4-5-10(9-12)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)
InChIKeyTYNITQBHBADQAR-UHFFFAOYSA-N
XLogP2.66
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-phenoxyphenyl)-2H-tetrazole 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

5-(4-Methoxyphenyl)-2H-tetrazole
CID 307902
5-(3,4-dimethoxyphenyl)-1H-1,2,3,4-tetrazole
CID 601291
5-(4-propoxybenzyl)-2H-tetrazole
CID 657685
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
5-(4-butoxyphenyl)-2H-tetrazole
CID 3718258
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
5-(3-methoxyphenyl)-1H-1,2,3,4-tetrazole
CID 3498447
N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 833835
2-[5-[4-(4-Methylphenoxy)phenyl]tetrazol-2-yl]ethanamine
CID 162416237
5-[(4-ethoxyphenyl)methyl]-2H-tetrazole
CID 654997
5-{4-[(2-methylbenzyl)oxy]phenyl}-1H-tetrazole
CID 718990
2-[2-[4-(2H-tetrazol-5-yl)phenoxy]ethoxy]ethanol
CID 3720881

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenoxyphenyl)-2H-tetrazole?
The IUPAC name of 5-(3-phenoxyphenyl)-2H-tetrazole (CID 7010320) is 5-(3-phenoxyphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-phenoxyphenyl)-2H-tetrazole?
The canonical SMILES for 5-(3-phenoxyphenyl)-2H-tetrazole is c1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1.
What is the InChIKey of 5-(3-phenoxyphenyl)-2H-tetrazole?
The InChIKey is TYNITQBHBADQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-2-6-11(7-3-1)18-12-8-4-5-10(9-12)13-14-16-17-15-13/h1-9H,(H,14,15,16,17).
What are the key properties of 5-(3-phenoxyphenyl)-2H-tetrazole?
5-(3-phenoxyphenyl)-2H-tetrazole has a molecular weight of 238.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenoxyphenyl)-2H-tetrazole is sourced from PubChem (CID 7010320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).