1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole

C15H12Cl2N4O2 — CID 1479521

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnnn2-c2cc(OC)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N4O2/c1-22-10-5-3-9(4-6-10)15-18-19-20-21(15)13-8-14(23-2)12(17)7-11(13)16/h3-8H,1-2H3
InChIKeyPTFWUZLYAXAKEP-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.65
Rot. Bonds4

About 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole

1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole (PubChem CID 1479521) has the molecular formula C15H12Cl2N4O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole
PubChem CID1479521
Molecular FormulaC15H12Cl2N4O2
Molecular Weight351.19 g/mol
Exact Mass350.03
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnnn2-c2cc(OC)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N4O2/c1-22-10-5-3-9(4-6-10)15-18-19-20-21(15)13-8-14(23-2)12(17)7-11(13)16/h3-8H,1-2H3
InChIKeyPTFWUZLYAXAKEP-UHFFFAOYSA-N
XLogP3.65
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole (CID 1479521) is 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole is COc1ccc(-c2nnnn2-c2cc(OC)c(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole?
The InChIKey is PTFWUZLYAXAKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2/c1-22-10-5-3-9(4-6-10)15-18-19-20-21(15)13-8-14(23-2)12(17)7-11(13)16/h3-8H,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole?
1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole has a molecular weight of 351.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)-5-(4-methoxyphenyl)tetrazole is sourced from PubChem (CID 1479521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).