1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole

C17H16Cl2N4O3 — CID 3809579

IUPAC1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole
SMILESCOCCOc1cc(-n2nnnc2-c2cccc(OC)c2)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N4O3/c1-24-6-7-26-16-10-15(13(18)9-14(16)19)23-17(20-21-22-23)11-4-3-5-12(8-11)25-2/h3-5,8-10H,6-7H2,1-2H3
InChIKeyBRWJRAKCBBHPHO-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.67
Rot. Bonds7

About 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole

1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole (PubChem CID 3809579) has the molecular formula C17H16Cl2N4O3 and a molecular weight of 395.25 g/mol. Its IUPAC name is 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole
PubChem CID3809579
Molecular FormulaC17H16Cl2N4O3
Molecular Weight395.25 g/mol
Exact Mass394.06
IUPAC Name1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole
SMILESCOCCOc1cc(-n2nnnc2-c2cccc(OC)c2)c(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N4O3/c1-24-6-7-26-16-10-15(13(18)9-14(16)19)23-17(20-21-22-23)11-4-3-5-12(8-11)25-2/h3-5,8-10H,6-7H2,1-2H3
InChIKeyBRWJRAKCBBHPHO-UHFFFAOYSA-N
XLogP3.67
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole?
The IUPAC name of 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole (CID 3809579) is 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole.
What is the SMILES notation for 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole?
The canonical SMILES for 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole is COCCOc1cc(-n2nnnc2-c2cccc(OC)c2)c(Cl)cc1Cl.
What is the InChIKey of 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole?
The InChIKey is BRWJRAKCBBHPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3/c1-24-6-7-26-16-10-15(13(18)9-14(16)19)23-17(20-21-22-23)11-4-3-5-12(8-11)25-2/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole?
1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole has a molecular weight of 395.25 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-(3-methoxyphenyl)tetrazole is sourced from PubChem (CID 3809579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).