1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol

C12H16N4O2 — CID 107046110

IUPAC1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol
SMILESCOCc1ccc(C(O)Cc2nnn(C)n2)cc1
InChIInChI=1S/C12H16N4O2/c1-16-14-12(13-15-16)7-11(17)10-5-3-9(4-6-10)8-18-2/h3-6,11,17H,7-8H2,1-2H3
InChIKeyFOZNFHPNGARSHR-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.63
Rot. Bonds5

About 1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol

1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107046110) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107046110
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol
SMILESCOCc1ccc(C(O)Cc2nnn(C)n2)cc1
InChIInChI=1S/C12H16N4O2/c1-16-14-12(13-15-16)7-11(17)10-5-3-9(4-6-10)8-18-2/h3-6,11,17H,7-8H2,1-2H3
InChIKeyFOZNFHPNGARSHR-UHFFFAOYSA-N
XLogP0.63
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde
CID 20601525
1-(3-chloro-4-iodophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065787
2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 107045795
1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045875
1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107048734
2-(2-methyltetrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 107046537
1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046178
2-(1-ethylimidazol-2-yl)-1-[4-(methoxymethyl)phenyl]ethanol
CID 79744333
3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107047970
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065836
1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107103559

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol (CID 107046110) is 1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol is COCc1ccc(C(O)Cc2nnn(C)n2)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is FOZNFHPNGARSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16-14-12(13-15-16)7-11(17)10-5-3-9(4-6-10)8-18-2/h3-6,11,17H,7-8H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol?
1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 248.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107046110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).