5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole

C18H19ClN4O4 — CID 56945885

IUPAC5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCCOc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C18H19ClN4O4/c1-5-27-14-7-6-11(8-13(14)19)18-20-21-22-23(18)12-9-15(24-2)17(26-4)16(10-12)25-3/h6-10H,5H2,1-4H3
InChIKeyGGRPRBDHBHPSMT-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.41
Rot. Bonds7

About 5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole

5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole (PubChem CID 56945885) has the molecular formula C18H19ClN4O4 and a molecular weight of 390.83 g/mol. Its IUPAC name is 5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
PubChem CID56945885
Molecular FormulaC18H19ClN4O4
Molecular Weight390.83 g/mol
Exact Mass390.11
IUPAC Name5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCCOc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C18H19ClN4O4/c1-5-27-14-7-6-11(8-13(14)19)18-20-21-22-23(18)12-9-15(24-2)17(26-4)16(10-12)25-3/h6-10H,5H2,1-4H3
InChIKeyGGRPRBDHBHPSMT-UHFFFAOYSA-N
XLogP3.41
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
The IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole (CID 56945885) is 5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole.
What is the SMILES notation for 5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
The canonical SMILES for 5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole is CCOc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
The InChIKey is GGRPRBDHBHPSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4/c1-5-27-14-7-6-11(8-13(14)19)18-20-21-22-23(18)12-9-15(24-2)17(26-4)16(10-12)25-3/h6-10H,5H2,1-4H3.
What are the key properties of 5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole has a molecular weight of 390.83 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole is sourced from PubChem (CID 56945885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).