3-[1-(1-hydroxypropyl)triazol-4-yl]phenol

C11H13N3O2 — CID 174595388

IUPAC3-[1-(1-hydroxypropyl)triazol-4-yl]phenol
SMILESCCC(O)n1cc(-c2cccc(O)c2)nn1
InChIInChI=1S/C11H13N3O2/c1-2-11(16)14-7-10(12-13-14)8-4-3-5-9(15)6-8/h3-7,11,15-16H,2H2,1H3
InChIKeyUYDNPXKNAZDIJI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.55
Rot. Bonds3

About 3-[1-(1-hydroxypropyl)triazol-4-yl]phenol

3-[1-(1-hydroxypropyl)triazol-4-yl]phenol (PubChem CID 174595388) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[1-(1-hydroxypropyl)triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[1-(1-hydroxypropyl)triazol-4-yl]phenol
PubChem CID174595388
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[1-(1-hydroxypropyl)triazol-4-yl]phenol
SMILESCCC(O)n1cc(-c2cccc(O)c2)nn1
InChIInChI=1S/C11H13N3O2/c1-2-11(16)14-7-10(12-13-14)8-4-3-5-9(15)6-8/h3-7,11,15-16H,2H2,1H3
InChIKeyUYDNPXKNAZDIJI-UHFFFAOYSA-N
XLogP1.55
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
CID 122179796
3-[1-(4-hydroxyphenyl)triazol-4-yl]phenol
CID 44585930
ethyl 2-[4-(3-hydroxyphenyl)triazol-1-yl]acetate
CID 70847799
1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone
CID 175449411
(2R,3S)-3-[4-(4-methylphenyl)triazol-1-yl]pentan-2-ol
CID 149380075
2-[4-[3-[1-[1-carboxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]triazol-4-yl]phenyl]triazol-1-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 177155073
5-[1-[(3-hydroxyphenyl)methyl]triazol-4-yl]benzene-1,3-diol
CID 57399005
tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate
CID 170636799
2,4,6-tris[3-(1-propan-2-yltriazol-4-yl)phenoxy]-1,3,5-triazine
CID 140937807
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol
CID 56722432
3-[5-[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-1,3,4-oxadiazol-2-yl]phenol
CID 53320688

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-hydroxypropyl)triazol-4-yl]phenol?
The IUPAC name of 3-[1-(1-hydroxypropyl)triazol-4-yl]phenol (CID 174595388) is 3-[1-(1-hydroxypropyl)triazol-4-yl]phenol.
What is the SMILES notation for 3-[1-(1-hydroxypropyl)triazol-4-yl]phenol?
The canonical SMILES for 3-[1-(1-hydroxypropyl)triazol-4-yl]phenol is CCC(O)n1cc(-c2cccc(O)c2)nn1.
What is the InChIKey of 3-[1-(1-hydroxypropyl)triazol-4-yl]phenol?
The InChIKey is UYDNPXKNAZDIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-11(16)14-7-10(12-13-14)8-4-3-5-9(15)6-8/h3-7,11,15-16H,2H2,1H3.
What are the key properties of 3-[1-(1-hydroxypropyl)triazol-4-yl]phenol?
3-[1-(1-hydroxypropyl)triazol-4-yl]phenol has a molecular weight of 219.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-hydroxypropyl)triazol-4-yl]phenol is sourced from PubChem (CID 174595388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).