1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol

C13H17N3O3 — CID 107045928

IUPAC1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCOc1cc(OC)cc(C(O)Cc2cn(C)nn2)c1
InChIInChI=1S/C13H17N3O3/c1-16-8-10(14-15-16)6-13(17)9-4-11(18-2)7-12(5-9)19-3/h4-5,7-8,13,17H,6H2,1-3H3
InChIKeyBPZWWMNLMADGBI-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.11
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol

1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107045928) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107045928
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCOc1cc(OC)cc(C(O)Cc2cn(C)nn2)c1
InChIInChI=1S/C13H17N3O3/c1-16-8-10(14-15-16)6-13(17)9-4-11(18-2)7-12(5-9)19-3/h4-5,7-8,13,17H,6H2,1-3H3
InChIKeyBPZWWMNLMADGBI-UHFFFAOYSA-N
XLogP1.11
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046191
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065610
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107065873
3,5-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757012
1-(6-methyl-3-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046410
1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046180
4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107047724
1-(4-methoxynaphthalen-1-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046182
[1-(4-methoxythiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066630
1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045985

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol (CID 107045928) is 1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol is COc1cc(OC)cc(C(O)Cc2cn(C)nn2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is BPZWWMNLMADGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16-8-10(14-15-16)6-13(17)9-4-11(18-2)7-12(5-9)19-3/h4-5,7-8,13,17H,6H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol?
1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 263.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107045928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).