5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol

C15H12I2N4O3 — CID 57383994

IUPAC5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nnnn2-c2cc(I)c(OC)c(I)c2)cc1O
InChIInChI=1S/C15H12I2N4O3/c1-23-13-4-3-8(5-12(13)22)15-18-19-20-21(15)9-6-10(16)14(24-2)11(17)7-9/h3-7,22H,1-2H3
InChIKeyRHOLOEHZMBHKRV-UHFFFAOYSA-N
MW550.09 g/mol
LogP3.26
Rot. Bonds4

About 5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol

5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol (PubChem CID 57383994) has the molecular formula C15H12I2N4O3 and a molecular weight of 550.09 g/mol. Its IUPAC name is 5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol
PubChem CID57383994
Molecular FormulaC15H12I2N4O3
Molecular Weight550.09 g/mol
Exact Mass549.90
IUPAC Name5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol
SMILESCOc1ccc(-c2nnnn2-c2cc(I)c(OC)c(I)c2)cc1O
InChIInChI=1S/C15H12I2N4O3/c1-23-13-4-3-8(5-12(13)22)15-18-19-20-21(15)9-6-10(16)14(24-2)11(17)7-9/h3-7,22H,1-2H3
InChIKeyRHOLOEHZMBHKRV-UHFFFAOYSA-N
XLogP3.26
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.09
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol?
The IUPAC name of 5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol (CID 57383994) is 5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol?
The canonical SMILES for 5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol is COc1ccc(-c2nnnn2-c2cc(I)c(OC)c(I)c2)cc1O.
What is the InChIKey of 5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol?
The InChIKey is RHOLOEHZMBHKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12I2N4O3/c1-23-13-4-3-8(5-12(13)22)15-18-19-20-21(15)9-6-10(16)14(24-2)11(17)7-9/h3-7,22H,1-2H3.
What are the key properties of 5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol?
5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol has a molecular weight of 550.09 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol is sourced from PubChem (CID 57383994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).