2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol

C19H19N3O3 — CID 118731836

IUPAC2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol
SMILESC=CCc1ccc(OCc2cn(-c3ccc(OC)cc3)nn2)c(O)c1
InChIInChI=1S/C19H19N3O3/c1-3-4-14-5-10-19(18(23)11-14)25-13-15-12-22(21-20-15)16-6-8-17(24-2)9-7-16/h3,5-12,23H,1,4,13H2,2H3
InChIKeyIHXLPGWRYJUECL-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.29
Rot. Bonds7

About 2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol

2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol (PubChem CID 118731836) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol
PubChem CID118731836
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol
SMILESC=CCc1ccc(OCc2cn(-c3ccc(OC)cc3)nn2)c(O)c1
InChIInChI=1S/C19H19N3O3/c1-3-4-14-5-10-19(18(23)11-14)25-13-15-12-22(21-20-15)16-6-8-17(24-2)9-7-16/h3,5-12,23H,1,4,13H2,2H3
InChIKeyIHXLPGWRYJUECL-UHFFFAOYSA-N
XLogP3.29
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.29
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 2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol?
The IUPAC name of 2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol (CID 118731836) is 2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol is C=CCc1ccc(OCc2cn(-c3ccc(OC)cc3)nn2)c(O)c1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol?
The InChIKey is IHXLPGWRYJUECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-4-14-5-10-19(18(23)11-14)25-13-15-12-22(21-20-15)16-6-8-17(24-2)9-7-16/h3,5-12,23H,1,4,13H2,2H3.
What are the key properties of 2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol?
2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol has a molecular weight of 337.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)triazol-4-yl]methoxy]-5-prop-2-enylphenol is sourced from PubChem (CID 118731836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).