2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole

C17H18N4O2 — CID 7278075

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
SMILESCOc1cc(C)c(Cn2nnc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C17H18N4O2/c1-12-9-15(22-2)16(23-3)10-14(12)11-21-19-17(18-20-21)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyRODQLXLQDQJXAZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.71
Rot. Bonds5

About 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole

2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole (PubChem CID 7278075) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
PubChem CID7278075
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
SMILESCOc1cc(C)c(Cn2nnc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C17H18N4O2/c1-12-9-15(22-2)16(23-3)10-14(12)11-21-19-17(18-20-21)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKeyRODQLXLQDQJXAZ-UHFFFAOYSA-N
XLogP2.71
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole (CID 7278075) is 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole is COc1cc(C)c(Cn2nnc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole?
The InChIKey is RODQLXLQDQJXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-9-15(22-2)16(23-3)10-14(12)11-21-19-17(18-20-21)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole?
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole has a molecular weight of 310.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole is sourced from PubChem (CID 7278075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).