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

C15H19N3O2 — CID 82204642

IUPAC[5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
SMILESC=CCn1nnc(CO)c1COc1cc(C)ccc1C
InChIInChI=1S/C15H19N3O2/c1-4-7-18-14(13(9-19)16-17-18)10-20-15-8-11(2)5-6-12(15)3/h4-6,8,19H,1,7,9-10H2,2-3H3
InChIKeyQZILPIDKYZOLJT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.15
Rot. Bonds6

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

[5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol (PubChem CID 82204642) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
PubChem CID82204642
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
SMILESC=CCn1nnc(CO)c1COc1cc(C)ccc1C
InChIInChI=1S/C15H19N3O2/c1-4-7-18-14(13(9-19)16-17-18)10-20-15-8-11(2)5-6-12(15)3/h4-6,8,19H,1,7,9-10H2,2-3H3
InChIKeyQZILPIDKYZOLJT-UHFFFAOYSA-N
XLogP2.15
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol
CID 82207380
[5-[(2-chlorophenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204645
[5-[(2,5-dimethylphenoxy)methyl]-1-hexyltriazol-4-yl]methanamine
CID 94944132
2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol
CID 82210031
5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazole-4-carbonitrile
CID 82207381
1-(cyanomethyl)-5-[(2,5-dimethylphenoxy)methyl]triazole-4-carbonitrile
CID 82206562
[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
5-[(2,5-dimethylphenoxy)methyl]-1-pentyltriazole-4-carbonitrile
CID 82205779
4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole
CID 81005789
(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
[1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol
CID 62400540

Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol?
The IUPAC name of [5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol (CID 82204642) is [5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol?
The canonical SMILES for [5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol is C=CCn1nnc(CO)c1COc1cc(C)ccc1C.
What is the InChIKey of [5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol?
The InChIKey is QZILPIDKYZOLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-7-18-14(13(9-19)16-17-18)10-20-15-8-11(2)5-6-12(15)3/h4-6,8,19H,1,7,9-10H2,2-3H3.
What are the key properties of [5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol?
[5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol has a molecular weight of 273.34 g/mol, XLogP of 2.15, 6 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-prop-2-enyltriazol-4-yl]methanol is sourced from PubChem (CID 82204642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).