5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole

C14H9ClI2N4O — CID 132593070

IUPAC5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole
SMILESClc1cccc(COc2c(I)cc(-c3nn[nH]n3)cc2I)c1
InChIInChI=1S/C14H9ClI2N4O/c15-10-3-1-2-8(4-10)7-22-13-11(16)5-9(6-12(13)17)14-18-20-21-19-14/h1-6H,7H2,(H,18,19,20,21)
InChIKeyKFQROSOGYDTZCX-UHFFFAOYSA-N
MW538.51 g/mol
LogP4.31
Rot. Bonds4

About 5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole

5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole (PubChem CID 132593070) has the molecular formula C14H9ClI2N4O and a molecular weight of 538.51 g/mol. Its IUPAC name is 5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole
PubChem CID132593070
Molecular FormulaC14H9ClI2N4O
Molecular Weight538.51 g/mol
Exact Mass537.86
IUPAC Name5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole
SMILESClc1cccc(COc2c(I)cc(-c3nn[nH]n3)cc2I)c1
InChIInChI=1S/C14H9ClI2N4O/c15-10-3-1-2-8(4-10)7-22-13-11(16)5-9(6-12(13)17)14-18-20-21-19-14/h1-6H,7H2,(H,18,19,20,21)
InChIKeyKFQROSOGYDTZCX-UHFFFAOYSA-N
XLogP4.31
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 10613243
5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
CID 132592973
5-[4-[(2,6-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-2H-tetrazole
CID 132592894
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
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-(4-chloro-2-iodophenyl)-2H-tetrazole
CID 68634158
(4Z)-4-[[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 19665907
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229
4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 4770099
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
4-[(3-chlorophenyl)methoxy]-3-iodoaniline
CID 66095443

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole (CID 132593070) is 5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole is Clc1cccc(COc2c(I)cc(-c3nn[nH]n3)cc2I)c1.
What is the InChIKey of 5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole?
The InChIKey is KFQROSOGYDTZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClI2N4O/c15-10-3-1-2-8(4-10)7-22-13-11(16)5-9(6-12(13)17)14-18-20-21-19-14/h1-6H,7H2,(H,18,19,20,21).
What are the key properties of 5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole?
5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole has a molecular weight of 538.51 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole is sourced from PubChem (CID 132593070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).