5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole

C16H16N4O — CID 892565

IUPAC5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole
SMILESCOc1ccc(-c2nnnn2CCc2ccccc2)cc1
InChIInChI=1S/C16H16N4O/c1-21-15-9-7-14(8-10-15)16-17-18-19-20(16)12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyMPLKOSRBSFIIJD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.59
Rot. Bonds5

About 5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole

5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole (PubChem CID 892565) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole
PubChem CID892565
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole
SMILESCOc1ccc(-c2nnnn2CCc2ccccc2)cc1
InChIInChI=1S/C16H16N4O/c1-21-15-9-7-14(8-10-15)16-17-18-19-20(16)12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyMPLKOSRBSFIIJD-UHFFFAOYSA-N
XLogP2.59
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4725808
(2S,3S)-N-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 10547681
Mephetyl tetrazole
CID 16721111
1-((1-benzyl-1H-tetrazol-5-yl)(4-(difluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158590
1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethoxy)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159046
3-(5-(2-methoxyphenyl)-1H-tetrazol-1-yl)-1-phenylpropan-1-one
CID 46890467
3-(5-(4-methoxyphenyl)-1H-tetrazol-1-yl)-1-phenylpropan-1-one
CID 46890468
1-((1-benzyl-1H-tetrazol-5-yl)(4-ethoxyphenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865449
1-(4-Octylphenoxy)-3-(5-phenyltetrazol-1-yl)propan-2-one
CID 153933372
N-[(4-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725806
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 2304109

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole (CID 892565) is 5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole is COc1ccc(-c2nnnn2CCc2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole?
The InChIKey is MPLKOSRBSFIIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-15-9-7-14(8-10-15)16-17-18-19-20(16)12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole?
5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole has a molecular weight of 280.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-(2-phenylethyl)tetrazole is sourced from PubChem (CID 892565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).