2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol

C12H15N3O3 — CID 122241163

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cn2cc(CO)nn2)cc1
InChIInChI=1S/C12H15N3O3/c1-18-11-4-2-9(3-5-11)12(17)7-15-6-10(8-16)13-14-15/h2-6,12,16-17H,7-8H2,1H3
InChIKeyKGTHVNCVDGQYQP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.51
Rot. Bonds5

About 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol

2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 122241163) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID122241163
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cn2cc(CO)nn2)cc1
InChIInChI=1S/C12H15N3O3/c1-18-11-4-2-9(3-5-11)12(17)7-15-6-10(8-16)13-14-15/h2-6,12,16-17H,7-8H2,1H3
InChIKeyKGTHVNCVDGQYQP-UHFFFAOYSA-N
XLogP0.51
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
[1-[(2R)-2-amino-2-phenylethyl]triazol-4-yl]methanol
CID 129494944
[1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol
CID 129494851
[1-[(2R,3S)-2-amino-3-methylpentyl]triazol-4-yl]methanol
CID 99737543
2-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81371367
(1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol
CID 129373193
1-(3-methoxyphenyl)-2-(4-methyltriazol-1-yl)ethanol
CID 167807603
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62399980
3-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81367670
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
(2R)-1-[4-(hydroxymethyl)triazol-1-yl]-3-[(E)-prop-1-enoxy]propan-2-ol
CID 122418092
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol (CID 122241163) is 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)Cn2cc(CO)nn2)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is KGTHVNCVDGQYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-11-4-2-9(3-5-11)12(17)7-15-6-10(8-16)13-14-15/h2-6,12,16-17H,7-8H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol?
2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 249.27 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 122241163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).