5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole

C16H14ClIN4O2 — CID 132592973

IUPAC5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
SMILESCCOc1cc(-c2nn[nH]n2)cc(I)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClIN4O2/c1-2-23-14-8-11(16-19-21-22-20-16)7-13(18)15(14)24-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H,19,20,21,22)
InChIKeyAXFILMKGVOMYMA-UHFFFAOYSA-N
MW456.67 g/mol
LogP4.10
Rot. Bonds6

About 5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole

5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole (PubChem CID 132592973) has the molecular formula C16H14ClIN4O2 and a molecular weight of 456.67 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
PubChem CID132592973
Molecular FormulaC16H14ClIN4O2
Molecular Weight456.67 g/mol
Exact Mass455.99
IUPAC Name5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
SMILESCCOc1cc(-c2nn[nH]n2)cc(I)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClIN4O2/c1-2-23-14-8-11(16-19-21-22-20-16)7-13(18)15(14)24-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H,19,20,21,22)
InChIKeyAXFILMKGVOMYMA-UHFFFAOYSA-N
XLogP4.10
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.67
LogP ≤ 54.10
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-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole
CID 132593070
4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide
CID 91682374
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
CID 132592950
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzenecarbothioamide
CID 22679888
[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]thiourea
CID 5026063
5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
CID 132591898
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19664556
3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]benzoyl chloride
CID 91682361
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126088336
5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 4016243
5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593025
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126325701

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole (CID 132592973) is 5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole is CCOc1cc(-c2nn[nH]n2)cc(I)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole?
The InChIKey is AXFILMKGVOMYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClIN4O2/c1-2-23-14-8-11(16-19-21-22-20-16)7-13(18)15(14)24-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H,19,20,21,22).
What are the key properties of 5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole?
5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole has a molecular weight of 456.67 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole is sourced from PubChem (CID 132592973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).