4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol

C11H13N3O2 — CID 117167347

IUPAC4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol
SMILESCC(C)(O)c1cnnn1-c1ccc(O)cc1
InChIInChI=1S/C11H13N3O2/c1-11(2,16)10-7-12-13-14(10)8-3-5-9(15)6-4-8/h3-7,15-16H,1-2H3
InChIKeyWYZNWGFYQJYNCC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.20
Rot. Bonds2

About 4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol

4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol (PubChem CID 117167347) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol
PubChem CID117167347
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol
SMILESCC(C)(O)c1cnnn1-c1ccc(O)cc1
InChIInChI=1S/C11H13N3O2/c1-11(2,16)10-7-12-13-14(10)8-3-5-9(15)6-4-8/h3-7,15-16H,1-2H3
InChIKeyWYZNWGFYQJYNCC-UHFFFAOYSA-N
XLogP1.20
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol
CID 117167342
2-methyl-2-(3-phenyltriazol-4-yl)propanoic acid
CID 114690024
4-[5-(methylaminomethyl)triazol-1-yl]phenol
CID 117167374
1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol
CID 114685504
2,6-dimethyl-4-(3-phenyltriazol-4-yl)heptan-4-ol
CID 114865283
3-methyl-3-(3-phenyltriazol-4-yl)butanoic acid
CID 114691347
2-(3-benzyltriazol-4-yl)propan-2-ol
CID 11687175
2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol
CID 84654618
4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol
CID 114691263
4-[4-ethyl-1-(4-hydroxyphenyl)pyrazol-5-yl]phenol
CID 136646088
2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid
CID 117167165
2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol
CID 114686558

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol?
The IUPAC name of 4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol (CID 117167347) is 4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol?
The canonical SMILES for 4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol is CC(C)(O)c1cnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol?
The InChIKey is WYZNWGFYQJYNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,16)10-7-12-13-14(10)8-3-5-9(15)6-4-8/h3-7,15-16H,1-2H3.
What are the key properties of 4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol?
4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol has a molecular weight of 219.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol is sourced from PubChem (CID 117167347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).