5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine

C16H20N4O — CID 91669265

IUPAC5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine
SMILESCc1cccc(C)c1COc1cccc(C2NNNN2)c1
InChIInChI=1S/C16H20N4O/c1-11-5-3-6-12(2)15(11)10-21-14-8-4-7-13(9-14)16-17-19-20-18-16/h3-9,16-20H,10H2,1-2H3
InChIKeyILOGHKQAGKRQII-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.00
Rot. Bonds4

About 5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine

5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine (PubChem CID 91669265) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine.

Molecular Properties

Compound Name5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine
PubChem CID91669265
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine
SMILESCc1cccc(C)c1COc1cccc(C2NNNN2)c1
InChIInChI=1S/C16H20N4O/c1-11-5-3-6-12(2)15(11)10-21-14-8-4-7-13(9-14)16-17-19-20-18-16/h3-9,16-20H,10H2,1-2H3
InChIKeyILOGHKQAGKRQII-UHFFFAOYSA-N
XLogP2.00
TPSA57.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine?
The IUPAC name of 5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine (CID 91669265) is 5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine.
What is the SMILES notation for 5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine?
The canonical SMILES for 5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine is Cc1cccc(C)c1COc1cccc(C2NNNN2)c1.
What is the InChIKey of 5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine?
The InChIKey is ILOGHKQAGKRQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-5-3-6-12(2)15(11)10-21-14-8-4-7-13(9-14)16-17-19-20-18-16/h3-9,16-20H,10H2,1-2H3.
What are the key properties of 5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine?
5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine has a molecular weight of 284.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2,6-dimethylphenyl)methoxy]phenyl]tetrazolidine is sourced from PubChem (CID 91669265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).