5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole

C10H12N4O — CID 82076912

IUPAC5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole
SMILESCc1ccc(OCc2nn[nH]n2)cc1C
InChIInChI=1S/C10H12N4O/c1-7-3-4-9(5-8(7)2)15-6-10-11-13-14-12-10/h3-5H,6H2,1-2H3,(H,11,12,13,14)
InChIKeyHLRAHLGOHRHQTA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.40
Rot. Bonds3

About 5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole

5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole (PubChem CID 82076912) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole
PubChem CID82076912
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole
SMILESCc1ccc(OCc2nn[nH]n2)cc1C
InChIInChI=1S/C10H12N4O/c1-7-3-4-9(5-8(7)2)15-6-10-11-13-14-12-10/h3-5H,6H2,1-2H3,(H,11,12,13,14)
InChIKeyHLRAHLGOHRHQTA-UHFFFAOYSA-N
XLogP1.40
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromo-4-methylphenoxy)methyl]-2H-tetrazole
CID 131046406
5-[(3,5-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076911
5-[(2-methylphenoxy)methyl]-2H-tetrazole
CID 82075517
6-(2H-tetrazol-5-ylmethoxy)quinoline
CID 82081095
2-chloro-5-(2H-tetrazol-5-ylmethoxy)pyridine
CID 130590050
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
2-[(3,4-dimethylphenoxy)methyl]pyrimidine-5-carbaldehyde
CID 99976309
2-[[2-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 22616039
2-[[3-methyl-4-[[3-methyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 19856213
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
5-[[4-(3,4-dimethylpentyl)phenoxy]methyl]-2H-tetrazole
CID 20673419
2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 2981681

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole (CID 82076912) is 5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole is Cc1ccc(OCc2nn[nH]n2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole?
The InChIKey is HLRAHLGOHRHQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-3-4-9(5-8(7)2)15-6-10-11-13-14-12-10/h3-5H,6H2,1-2H3,(H,11,12,13,14).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole?
5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole has a molecular weight of 204.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole is sourced from PubChem (CID 82076912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).