[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol

C14H19N3O2 — CID 82207380

IUPAC[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol
SMILESCCn1nnc(CO)c1COc1cc(C)ccc1C
InChIInChI=1S/C14H19N3O2/c1-4-17-13(12(8-18)15-16-17)9-19-14-7-10(2)5-6-11(14)3/h5-7,18H,4,8-9H2,1-3H3
InChIKeyXHDHHAWQJDZDJU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.99
Rot. Bonds5

About [5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol

[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol (PubChem CID 82207380) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol
PubChem CID82207380
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol
SMILESCCn1nnc(CO)c1COc1cc(C)ccc1C
InChIInChI=1S/C14H19N3O2/c1-4-17-13(12(8-18)15-16-17)9-19-14-7-10(2)5-6-11(14)3/h5-7,18H,4,8-9H2,1-3H3
InChIKeyXHDHHAWQJDZDJU-UHFFFAOYSA-N
XLogP1.99
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204642
5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazole-4-carbonitrile
CID 82207381
[5-[(2,5-dimethylphenoxy)methyl]-1-hexyltriazol-4-yl]methanamine
CID 94944132
4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole
CID 81005789
2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol
CID 82210031
1-(cyanomethyl)-5-[(2,5-dimethylphenoxy)methyl]triazole-4-carbonitrile
CID 82206562
5-[(2,5-dimethylphenoxy)methyl]-1-pentyltriazole-4-carbonitrile
CID 82205779
[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 82195856
[5-[(2-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210779
(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
[5-[(4-ethoxyphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208710
[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
CID 82195788

Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol?
The IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol (CID 82207380) is [5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol?
The canonical SMILES for [5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol is CCn1nnc(CO)c1COc1cc(C)ccc1C.
What is the InChIKey of [5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol?
The InChIKey is XHDHHAWQJDZDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-17-13(12(8-18)15-16-17)9-19-14-7-10(2)5-6-11(14)3/h5-7,18H,4,8-9H2,1-3H3.
What are the key properties of [5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol?
[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol has a molecular weight of 261.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol is sourced from PubChem (CID 82207380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).