5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole

C21H18N4O — CID 162676345

IUPAC5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole
SMILESc1ccc(CCOc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C21H18N4O/c1-2-6-16(7-3-1)14-15-26-18-12-10-17(11-13-18)19-8-4-5-9-20(19)21-22-24-25-23-21/h1-13H,14-15H2,(H,22,23,24,25)
InChIKeyJBPUTFRSPYXSFQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.16
Rot. Bonds6

About 5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole

5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole (PubChem CID 162676345) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole
PubChem CID162676345
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole
SMILESc1ccc(CCOc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C21H18N4O/c1-2-6-16(7-3-1)14-15-26-18-12-10-17(11-13-18)19-8-4-5-9-20(19)21-22-24-25-23-21/h1-13H,14-15H2,(H,22,23,24,25)
InChIKeyJBPUTFRSPYXSFQ-UHFFFAOYSA-N
XLogP4.16
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-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
2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
5-(4-butoxyphenyl)-2H-tetrazole
CID 3718258
2-{5-[4-(2-Methyl-benzyloxy)-phenyl]-tetrazol-2-yl}-ethanol
CID 10804889
3-{5-[4-(2-Methyl-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10829437
3-(4-Phenylphenoxy)-1-(5-phenyltetrazol-2-yl)butan-2-one
CID 155536397
5-{4-[(2-methylbenzyl)oxy]phenyl}-1H-tetrazole
CID 718990
5-(4-ethoxyphenyl)-2H-tetrazole
CID 647263
Lyndbupsfwrmgw-uhfffaoysa-
CID 50936887
5-(3-(Naphthalen-2-yloxymethyl)-phenyl)-1H-tetrazole
CID 57457051
5-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
CID 155154042
5-[3-[[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
CID 155784433

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole (CID 162676345) is 5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole is c1ccc(CCOc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of 5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole?
The InChIKey is JBPUTFRSPYXSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-2-6-16(7-3-1)14-15-26-18-12-10-17(11-13-18)19-8-4-5-9-20(19)21-22-24-25-23-21/h1-13H,14-15H2,(H,22,23,24,25).
What are the key properties of 5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole?
5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole has a molecular weight of 342.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-phenylethoxy)phenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 162676345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).