5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole

C15H11Cl2IN4O2 — CID 132592894

IUPAC5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole
SMILESCOc1cc(-c2nn[nH]n2)cc(I)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2IN4O2/c1-23-13-6-8(15-19-21-22-20-15)5-12(18)14(13)24-7-9-10(16)3-2-4-11(9)17/h2-6H,7H2,1H3,(H,19,20,21,22)
InChIKeySVJCYMPMKYLSJK-UHFFFAOYSA-N
MW477.09 g/mol
LogP4.37
Rot. Bonds5

About 5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole

5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole (PubChem CID 132592894) has the molecular formula C15H11Cl2IN4O2 and a molecular weight of 477.09 g/mol. Its IUPAC name is 5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole
PubChem CID132592894
Molecular FormulaC15H11Cl2IN4O2
Molecular Weight477.09 g/mol
Exact Mass475.93
IUPAC Name5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole
SMILESCOc1cc(-c2nn[nH]n2)cc(I)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2IN4O2/c1-23-13-6-8(15-19-21-22-20-15)5-12(18)14(13)24-7-9-10(16)3-2-4-11(9)17/h2-6H,7H2,1H3,(H,19,20,21,22)
InChIKeySVJCYMPMKYLSJK-UHFFFAOYSA-N
XLogP4.37
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.09
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
CID 132592973
5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole
CID 132593070
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
CID 132591879
5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
CID 132591898
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
CID 132592950
5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593233
5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
CID 132591862
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952
5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593120
5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593025
5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593252

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole (CID 132592894) is 5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole is COc1cc(-c2nn[nH]n2)cc(I)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole?
The InChIKey is SVJCYMPMKYLSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2IN4O2/c1-23-13-6-8(15-19-21-22-20-15)5-12(18)14(13)24-7-9-10(16)3-2-4-11(9)17/h2-6H,7H2,1H3,(H,19,20,21,22).
What are the key properties of 5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole?
5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole has a molecular weight of 477.09 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole is sourced from PubChem (CID 132592894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).