[3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol

C12H16N4O4 — CID 107043819

IUPAC[3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(OC)c1OCc1nnn(C)n1
InChIInChI=1S/C12H16N4O4/c1-16-14-11(13-15-16)7-20-12-9(18-2)4-8(6-17)5-10(12)19-3/h4-5,17H,6-7H2,1-3H3
InChIKeyAXQMZRYRMYQBMO-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.30
Rot. Bonds6

About [3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol

[3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol (PubChem CID 107043819) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is [3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
PubChem CID107043819
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name[3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
SMILESCOc1cc(CO)cc(OC)c1OCc1nnn(C)n1
InChIInChI=1S/C12H16N4O4/c1-16-14-11(13-15-16)7-20-12-9(18-2)4-8(6-17)5-10(12)19-3/h4-5,17H,6-7H2,1-3H3
InChIKeyAXQMZRYRMYQBMO-UHFFFAOYSA-N
XLogP0.30
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]-2-methyltetrazole
CID 107044085
[3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041278
[3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107690642
5-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-2-methyltetrazole
CID 107044049
[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043786
4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040946
N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041105
[3,5-dimethoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]methanol
CID 102881591
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethoxyphenyl]methanol
CID 62125678
5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055235

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol (CID 107043819) is [3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol is COc1cc(CO)cc(OC)c1OCc1nnn(C)n1.
What is the InChIKey of [3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol?
The InChIKey is AXQMZRYRMYQBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-16-14-11(13-15-16)7-20-12-9(18-2)4-8(6-17)5-10(12)19-3/h4-5,17H,6-7H2,1-3H3.
What are the key properties of [3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol?
[3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol has a molecular weight of 280.28 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 107043819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).