4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol

C18H20N4O3 — CID 3025579

IUPAC4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol
SMILESCOc1ccc(-c2nnn(Cc3cc(C)c(O)c(C)c3)n2)cc1OC
InChIInChI=1S/C18H20N4O3/c1-11-7-13(8-12(2)17(11)23)10-22-20-18(19-21-22)14-5-6-15(24-3)16(9-14)25-4/h5-9,23H,10H2,1-4H3
InChIKeyRYAQNNATFZKOMC-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.73
Rot. Bonds5

About 4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol

4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol (PubChem CID 3025579) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol
PubChem CID3025579
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol
SMILESCOc1ccc(-c2nnn(Cc3cc(C)c(O)c(C)c3)n2)cc1OC
InChIInChI=1S/C18H20N4O3/c1-11-7-13(8-12(2)17(11)23)10-22-20-18(19-21-22)14-5-6-15(24-3)16(9-14)25-4/h5-9,23H,10H2,1-4H3
InChIKeyRYAQNNATFZKOMC-UHFFFAOYSA-N
XLogP2.73
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol (CID 3025579) is 4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol is COc1ccc(-c2nnn(Cc3cc(C)c(O)c(C)c3)n2)cc1OC.
What is the InChIKey of 4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol?
The InChIKey is RYAQNNATFZKOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-7-13(8-12(2)17(11)23)10-22-20-18(19-21-22)14-5-6-15(24-3)16(9-14)25-4/h5-9,23H,10H2,1-4H3.
What are the key properties of 4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol?
4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol has a molecular weight of 340.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 3025579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).