[5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol

C15H19N3O3 — CID 82210785

IUPAC[5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
SMILESC=C(C)Cn1nnc(CO)c1COc1cccc(OC)c1
InChIInChI=1S/C15H19N3O3/c1-11(2)8-18-15(14(9-19)16-17-18)10-21-13-6-4-5-12(7-13)20-3/h4-7,19H,1,8-10H2,2-3H3
InChIKeyBBUJVFRSYLWWFY-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.93
Rot. Bonds7

About [5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol

[5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol (PubChem CID 82210785) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
PubChem CID82210785
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
SMILESC=C(C)Cn1nnc(CO)c1COc1cccc(OC)c1
InChIInChI=1S/C15H19N3O3/c1-11(2)8-18-15(14(9-19)16-17-18)10-21-13-6-4-5-12(7-13)20-3/h4-7,19H,1,8-10H2,2-3H3
InChIKeyBBUJVFRSYLWWFY-UHFFFAOYSA-N
XLogP1.93
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol?
The IUPAC name of [5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol (CID 82210785) is [5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol?
The canonical SMILES for [5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol is C=C(C)Cn1nnc(CO)c1COc1cccc(OC)c1.
What is the InChIKey of [5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol?
The InChIKey is BBUJVFRSYLWWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(2)8-18-15(14(9-19)16-17-18)10-21-13-6-4-5-12(7-13)20-3/h4-7,19H,1,8-10H2,2-3H3.
What are the key properties of [5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol?
[5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol has a molecular weight of 289.33 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol is sourced from PubChem (CID 82210785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).