1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol

C12H16N4O3 — CID 107045875

IUPAC1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCOc1cccc(C(O)Cc2nnn(C)n2)c1OC
InChIInChI=1S/C12H16N4O3/c1-16-14-11(13-15-16)7-9(17)8-5-4-6-10(18-2)12(8)19-3/h4-6,9,17H,7H2,1-3H3
InChIKeyNRDMDWIRGGSXMP-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.50
Rot. Bonds5

About 1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol

1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107045875) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107045875
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCOc1cccc(C(O)Cc2nnn(C)n2)c1OC
InChIInChI=1S/C12H16N4O3/c1-16-14-11(13-15-16)7-9(17)8-5-4-6-10(18-2)12(8)19-3/h4-6,9,17H,7H2,1-3H3
InChIKeyNRDMDWIRGGSXMP-UHFFFAOYSA-N
XLogP0.50
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107103559
1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065856
5-[2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethyl]-2-methyltetrazole
CID 132532982
(1R)-1-(2-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042579
(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 680857
1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66460933
3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040946
1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol
CID 107046110
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol
CID 104801826
1-(2,3-dimethoxyphenyl)-2-ethoxyethanol
CID 79567811
2-(2-methyltetrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 107045795

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107045875) is 1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol is COc1cccc(C(O)Cc2nnn(C)n2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is NRDMDWIRGGSXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-16-14-11(13-15-16)7-9(17)8-5-4-6-10(18-2)12(8)19-3/h4-6,9,17H,7H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 264.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107045875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).