5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole

C15H14N4O2 — CID 863210

IUPAC5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
SMILESCOc1cc(-c2nn[nH]n2)ccc1OCc1ccccc1
InChIInChI=1S/C15H14N4O2/c1-20-14-9-12(15-16-18-19-17-15)7-8-13(14)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17,18,19)
InChIKeyGLTKTRBMDACHLY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.45
Rot. Bonds5

About 5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole

5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole (PubChem CID 863210) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
PubChem CID863210
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
SMILESCOc1cc(-c2nn[nH]n2)ccc1OCc1ccccc1
InChIInChI=1S/C15H14N4O2/c1-20-14-9-12(15-16-18-19-17-15)7-8-13(14)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17,18,19)
InChIKeyGLTKTRBMDACHLY-UHFFFAOYSA-N
XLogP2.45
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
CID 132591862
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole
CID 18973897
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
3-methoxy-4-phenylmethoxybenzenecarbothioamide
CID 7745260
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
1-methoxy-2-[(4-phenylphenyl)methoxy]benzene
CID 67858860
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
2-(chloromethyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4-oxadiazole
CID 46944561
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
3-(3-methoxy-4-phenylmethoxyphenyl)-1,4,5-triazatricyclo[5.2.2.02,6]undeca-2(6),3-diene
CID 110535039

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole?
The IUPAC name of 5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole (CID 863210) is 5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole?
The canonical SMILES for 5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole is COc1cc(-c2nn[nH]n2)ccc1OCc1ccccc1.
What is the InChIKey of 5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole?
The InChIKey is GLTKTRBMDACHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-20-14-9-12(15-16-18-19-17-15)7-8-13(14)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17,18,19).
What are the key properties of 5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole?
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole has a molecular weight of 282.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole is sourced from PubChem (CID 863210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).