1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole

C16H16N4O — CID 52891595

IUPAC1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole
SMILESCc1ccc(C)c(COc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C16H16N4O/c1-12-6-7-13(2)14(8-12)10-21-16-5-3-4-15(9-16)20-11-17-18-19-20/h3-9,11H,10H2,1-2H3
InChIKeyULQNIJQUUDSPQN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.86
Rot. Bonds4

About 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole

1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole (PubChem CID 52891595) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole
PubChem CID52891595
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole
SMILESCc1ccc(C)c(COc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C16H16N4O/c1-12-6-7-13(2)14(8-12)10-21-16-5-3-4-15(9-16)20-11-17-18-19-20/h3-9,11H,10H2,1-2H3
InChIKeyULQNIJQUUDSPQN-UHFFFAOYSA-N
XLogP2.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole
CID 26050435
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
CID 7705728
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 856533
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78936316

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole?
The IUPAC name of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole (CID 52891595) is 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole?
The canonical SMILES for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole is Cc1ccc(C)c(COc2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole?
The InChIKey is ULQNIJQUUDSPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-12-6-7-13(2)14(8-12)10-21-16-5-3-4-15(9-16)20-11-17-18-19-20/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole?
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole has a molecular weight of 280.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole is sourced from PubChem (CID 52891595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).