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

C16H16N4O2 — CID 59263962

IUPAC5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
SMILESCOC(OC)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C16H16N4O2/c1-21-16(22-2)12-9-7-11(8-10-12)13-5-3-4-6-14(13)15-17-19-20-18-15/h3-10,16H,1-2H3,(H,17,18,19,20)
InChIKeyUORUYHWHXMQOFN-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.83
Rot. Bonds5

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

5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole (PubChem CID 59263962) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
PubChem CID59263962
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
SMILESCOC(OC)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C16H16N4O2/c1-21-16(22-2)12-9-7-11(8-10-12)13-5-3-4-6-14(13)15-17-19-20-18-15/h3-10,16H,1-2H3,(H,17,18,19,20)
InChIKeyUORUYHWHXMQOFN-UHFFFAOYSA-N
XLogP2.83
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[2-[4-[[3-tert-butyl-4-(dimethoxymethyl)-5-propyl-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 67870599
3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
CID 151578231
5-[2-[4-[[5-butyl-3-tert-butyl-4-(dimethoxymethyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 67871181
5-(dimethoxymethyl)-1-ethyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740504
5-[2-[4-[(1S)-1-[(4-methoxyphenyl)methoxy]octyl]phenyl]phenyl]-2H-tetrazole
CID 70222580
potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
CID 173044434
5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 67910520
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole
CID 67690185
5-(dimethoxymethyl)-1-(2-phenylethyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741532
5-[2-[4-[[5-methoxy-2-(3-methylbutyl)-1,2,4-triazol-3-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 19750623
molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 142506375
2-[4-[2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]phenyl]benzonitrile
CID 176681364

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole (CID 59263962) is 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole is COC(OC)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole?
The InChIKey is UORUYHWHXMQOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-16(22-2)12-9-7-11(8-10-12)13-5-3-4-6-14(13)15-17-19-20-18-15/h3-10,16H,1-2H3,(H,17,18,19,20).
What are the key properties of 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole?
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole has a molecular weight of 296.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 59263962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).