1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole

C16H14Cl2N4O2 — CID 4594203

IUPAC1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole
SMILESCOCCOc1cc(-n2nnnc2-c2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N4O2/c1-23-7-8-24-15-10-14(12(17)9-13(15)18)22-16(19-20-21-22)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyAJGYIMQSZSFDNX-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.66
Rot. Bonds6

About 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole

1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole (PubChem CID 4594203) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole.

Molecular Properties

Compound Name1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole
PubChem CID4594203
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole
SMILESCOCCOc1cc(-n2nnnc2-c2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N4O2/c1-23-7-8-24-15-10-14(12(17)9-13(15)18)22-16(19-20-21-22)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyAJGYIMQSZSFDNX-UHFFFAOYSA-N
XLogP3.66
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-phenyltetrazole?
The IUPAC name of 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole (CID 4594203) is 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole.
What is the SMILES notation for 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole?
The canonical SMILES for 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole is COCCOc1cc(-n2nnnc2-c2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole?
The InChIKey is AJGYIMQSZSFDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c1-23-7-8-24-15-10-14(12(17)9-13(15)18)22-16(19-20-21-22)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole?
1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole has a molecular weight of 365.22 g/mol, XLogP of 3.66, 6 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-(2-methoxyethoxy)phenyl]-5-phenyltetrazole is sourced from PubChem (CID 4594203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).