5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole

C16H13Cl3N4O — CID 1479526

IUPAC5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole
SMILESCC(C)Oc1cc(-n2nnnc2-c2ccccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N4O/c1-9(2)24-15-8-14(12(18)7-13(15)19)23-16(20-21-22-23)10-5-3-4-6-11(10)17/h3-9H,1-2H3
InChIKeyONXWFSGEIZXYFL-UHFFFAOYSA-N
MW383.67 g/mol
LogP5.08
Rot. Bonds4

About 5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole

5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole (PubChem CID 1479526) has the molecular formula C16H13Cl3N4O and a molecular weight of 383.67 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole
PubChem CID1479526
Molecular FormulaC16H13Cl3N4O
Molecular Weight383.67 g/mol
Exact Mass382.02
IUPAC Name5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole
SMILESCC(C)Oc1cc(-n2nnnc2-c2ccccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N4O/c1-9(2)24-15-8-14(12(18)7-13(15)19)23-16(20-21-22-23)10-5-3-4-6-11(10)17/h3-9H,1-2H3
InChIKeyONXWFSGEIZXYFL-UHFFFAOYSA-N
XLogP5.08
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.67
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole (CID 1479526) is 5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole is CC(C)Oc1cc(-n2nnnc2-c2ccccc2Cl)c(Cl)cc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole?
The InChIKey is ONXWFSGEIZXYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N4O/c1-9(2)24-15-8-14(12(18)7-13(15)19)23-16(20-21-22-23)10-5-3-4-6-11(10)17/h3-9H,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole?
5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole has a molecular weight of 383.67 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole is sourced from PubChem (CID 1479526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).