1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone

C11H12N4O2 — CID 107043044

IUPAC1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nnn(C)n2)cc1
InChIInChI=1S/C11H12N4O2/c1-8(16)9-3-5-10(6-4-9)17-7-11-12-14-15(2)13-11/h3-6H,7H2,1-2H3
InChIKeyXVBAKOMCOQJJLC-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.99
Rot. Bonds4

About 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone

1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone (PubChem CID 107043044) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
PubChem CID107043044
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nnn(C)n2)cc1
InChIInChI=1S/C11H12N4O2/c1-8(16)9-3-5-10(6-4-9)17-7-11-12-14-15(2)13-11/h3-6H,7H2,1-2H3
InChIKeyXVBAKOMCOQJJLC-UHFFFAOYSA-N
XLogP0.99
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methyltetrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 107043205
trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide
CID 107044287
4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
1-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 82842996
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072
methyl 2-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzoate
CID 167802184
4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107044786
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055235
2-[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]ethanamine
CID 107051908
[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043786
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone (CID 107043044) is 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2nnn(C)n2)cc1.
What is the InChIKey of 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone?
The InChIKey is XVBAKOMCOQJJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8(16)9-3-5-10(6-4-9)17-7-11-12-14-15(2)13-11/h3-6H,7H2,1-2H3.
What are the key properties of 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone?
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone has a molecular weight of 232.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 107043044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).