3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol

C13H17N3O3 — CID 134147702

IUPAC3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol
SMILESCOc1ccc(C(O)c2cn(CCCO)nn2)cc1
InChIInChI=1S/C13H17N3O3/c1-19-11-5-3-10(4-6-11)13(18)12-9-16(15-14-12)7-2-8-17/h3-6,9,13,17-18H,2,7-8H2,1H3
InChIKeyYBVJBAGDORZJKQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.75
Rot. Bonds6

About 3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol

3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol (PubChem CID 134147702) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol
PubChem CID134147702
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol
SMILESCOc1ccc(C(O)c2cn(CCCO)nn2)cc1
InChIInChI=1S/C13H17N3O3/c1-19-11-5-3-10(4-6-11)13(18)12-9-16(15-14-12)7-2-8-17/h3-6,9,13,17-18H,2,7-8H2,1H3
InChIKeyYBVJBAGDORZJKQ-UHFFFAOYSA-N
XLogP0.75
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol (CID 134147702) is 3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol is COc1ccc(C(O)c2cn(CCCO)nn2)cc1.
What is the InChIKey of 3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is YBVJBAGDORZJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-11-5-3-10(4-6-11)13(18)12-9-16(15-14-12)7-2-8-17/h3-6,9,13,17-18H,2,7-8H2,1H3.
What are the key properties of 3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol?
3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 263.30 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[hydroxy-(4-methoxyphenyl)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 134147702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).