2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol

C14H19N3O3 — CID 62400404

IUPAC2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol
SMILESCOc1cc(C)c(Cn2cc(CCO)nn2)cc1OC
InChIInChI=1S/C14H19N3O3/c1-10-6-13(19-2)14(20-3)7-11(10)8-17-9-12(4-5-18)15-16-17/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeyNZNKNYUKUBINSG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.19
Rot. Bonds6

About 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol

2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol (PubChem CID 62400404) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol
PubChem CID62400404
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol
SMILESCOc1cc(C)c(Cn2cc(CCO)nn2)cc1OC
InChIInChI=1S/C14H19N3O3/c1-10-6-13(19-2)14(20-3)7-11(10)8-17-9-12(4-5-18)15-16-17/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeyNZNKNYUKUBINSG-UHFFFAOYSA-N
XLogP1.19
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3-bromo-4-methoxyphenyl)methyl]triazol-4-yl]ethanol
CID 62401870
3-[2-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]phenyl]-6,7-dimethoxy-2-methylquinazolin-4-one
CID 118733662
2-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 116641699
2-[1-[(6-bromo-5-methyl-3-pyridinyl)methyl]triazol-4-yl]ethanol
CID 167851961
4-(2-bromoethyl)-1-[(2,5-dimethylphenyl)methyl]triazole
CID 62395142
[1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol
CID 91087646
[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 55029615
1-benzyl-4-[4-(4-methoxy-2-methylphenyl)butyl]triazole
CID 69346797
4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole
CID 112719662
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]ethanol
CID 63019082
3-[1-[(2-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]propanoic acid
CID 107460776
2-[1-[(5-fluoro-2-nitrophenyl)methyl]triazol-4-yl]ethanol
CID 62402055

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol (CID 62400404) is 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol is COc1cc(C)c(Cn2cc(CCO)nn2)cc1OC.
What is the InChIKey of 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol?
The InChIKey is NZNKNYUKUBINSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-6-13(19-2)14(20-3)7-11(10)8-17-9-12(4-5-18)15-16-17/h6-7,9,18H,4-5,8H2,1-3H3.
What are the key properties of 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol?
2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol has a molecular weight of 277.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62400404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).