[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol

C15H21N3O3 — CID 82207395

IUPAC[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol
SMILESCCn1nnc(CO)c1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H21N3O3/c1-4-18-13(12(10-19)16-17-18)7-5-11-6-8-14(20-2)15(9-11)21-3/h6,8-9,19H,4-5,7,10H2,1-3H3
InChIKeyXWOCNNPRJGSFDP-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.59
Rot. Bonds7

About [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol

[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol (PubChem CID 82207395) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol
PubChem CID82207395
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol
SMILESCCn1nnc(CO)c1CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H21N3O3/c1-4-18-13(12(10-19)16-17-18)7-5-11-6-8-14(20-2)15(9-11)21-3/h6,8-9,19H,4-5,7,10H2,1-3H3
InChIKeyXWOCNNPRJGSFDP-UHFFFAOYSA-N
XLogP1.59
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-propyltriazol-4-yl]methanol
CID 82205067
[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine
CID 82207504
[1-heptyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanol
CID 98824391
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82207271
[1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol
CID 82204190
2-(3,4-dimethoxyphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]ethanamine
CID 19619312
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 26775714
1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine
CID 79506309
[5-[2-[[2-(3,4-dimethoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]-2-methoxyphenyl]methanol
CID 160591805
2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol
CID 1204262
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol?
The IUPAC name of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol (CID 82207395) is [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol?
The canonical SMILES for [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol is CCn1nnc(CO)c1CCc1ccc(OC)c(OC)c1.
What is the InChIKey of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol?
The InChIKey is XWOCNNPRJGSFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-18-13(12(10-19)16-17-18)7-5-11-6-8-14(20-2)15(9-11)21-3/h6,8-9,19H,4-5,7,10H2,1-3H3.
What are the key properties of [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol?
[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol has a molecular weight of 291.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanol is sourced from PubChem (CID 82207395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).