5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole

C15H13IN4O — CID 132593252

IUPAC5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
SMILESCc1ccccc1COc1ccc(-c2nn[nH]n2)cc1I
InChIInChI=1S/C15H13IN4O/c1-10-4-2-3-5-12(10)9-21-14-7-6-11(8-13(14)16)15-17-19-20-18-15/h2-8H,9H2,1H3,(H,17,18,19,20)
InChIKeyDYTGRHKYPRNSLT-UHFFFAOYSA-N
MW392.20 g/mol
LogP3.36
Rot. Bonds4

About 5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole

5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole (PubChem CID 132593252) has the molecular formula C15H13IN4O and a molecular weight of 392.20 g/mol. Its IUPAC name is 5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
PubChem CID132593252
Molecular FormulaC15H13IN4O
Molecular Weight392.20 g/mol
Exact Mass392.01
IUPAC Name5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
SMILESCc1ccccc1COc1ccc(-c2nn[nH]n2)cc1I
InChIInChI=1S/C15H13IN4O/c1-10-4-2-3-5-12(10)9-21-14-7-6-11(8-13(14)16)15-17-19-20-18-15/h2-8H,9H2,1H3,(H,17,18,19,20)
InChIKeyDYTGRHKYPRNSLT-UHFFFAOYSA-N
XLogP3.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 53.36
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-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593238
5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
CID 132591862
3-iodo-4-[(2-methylphenyl)methoxy]benzamide
CID 91682054
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
CID 91017047
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
5-[3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593225
methyl (E)-3-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 91684631
5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride
CID 163327284
5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine
CID 91681993
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
5-[(2-methylphenoxy)methyl]-2H-tetrazole
CID 82075517

Frequently Asked Questions

What is the IUPAC name of 5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole (CID 132593252) is 5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole is Cc1ccccc1COc1ccc(-c2nn[nH]n2)cc1I.
What is the InChIKey of 5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The InChIKey is DYTGRHKYPRNSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN4O/c1-10-4-2-3-5-12(10)9-21-14-7-6-11(8-13(14)16)15-17-19-20-18-15/h2-8H,9H2,1H3,(H,17,18,19,20).
What are the key properties of 5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole?
5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole has a molecular weight of 392.20 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 132593252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).