5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole

C13H18N4O — CID 82295340

IUPAC5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole
SMILESCOc1c(-c2nn[nH]n2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C13H18N4O/c1-8-6-9(12-14-16-17-15-12)11(18-5)10(7-8)13(2,3)4/h6-7H,1-5H3,(H,14,15,16,17)
InChIKeyFGEQDWCOPULBRM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.48
Rot. Bonds2

About 5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole

5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole (PubChem CID 82295340) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole
PubChem CID82295340
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole
SMILESCOc1c(-c2nn[nH]n2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C13H18N4O/c1-8-6-9(12-14-16-17-15-12)11(18-5)10(7-8)13(2,3)4/h6-7H,1-5H3,(H,14,15,16,17)
InChIKeyFGEQDWCOPULBRM-UHFFFAOYSA-N
XLogP2.48
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 96669283
5-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-imidazol-2-amine
CID 82301222
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
5-(2-bromo-5-methylphenyl)-2H-tetrazole
CID 166595540
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
1-tert-butyl-3-isothiocyanato-2-methoxy-5-methylbenzene
CID 82496669
5-methyl-3-(2H-tetrazol-5-yl)pyridin-2-amine
CID 14200810
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene
CID 89442381
3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
CID 151578231
5-(6-chloro-5-methoxy-2,3-dihydro-1H-inden-4-yl)-2H-tetrazole
CID 177337009
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
1-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-hydroxyethanone
CID 82291654

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole?
The IUPAC name of 5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole (CID 82295340) is 5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole?
The canonical SMILES for 5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole is COc1c(-c2nn[nH]n2)cc(C)cc1C(C)(C)C.
What is the InChIKey of 5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole?
The InChIKey is FGEQDWCOPULBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-6-9(12-14-16-17-15-12)11(18-5)10(7-8)13(2,3)4/h6-7H,1-5H3,(H,14,15,16,17).
What are the key properties of 5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole?
5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole has a molecular weight of 246.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole is sourced from PubChem (CID 82295340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).