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

C11H13N3O2 — CID 117167464

IUPAC2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol
SMILESCC(C)(O)c1cn(-c2ccccc2O)nn1
InChIInChI=1S/C11H13N3O2/c1-11(2,16)10-7-14(13-12-10)8-5-3-4-6-9(8)15/h3-7,15-16H,1-2H3
InChIKeySXXPEZQMCIGEEJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.20
Rot. Bonds2

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

2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol (PubChem CID 117167464) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol
PubChem CID117167464
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol
SMILESCC(C)(O)c1cn(-c2ccccc2O)nn1
InChIInChI=1S/C11H13N3O2/c1-11(2,16)10-7-14(13-12-10)8-5-3-4-6-9(8)15/h3-7,15-16H,1-2H3
InChIKeySXXPEZQMCIGEEJ-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol (CID 117167464) is 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol is CC(C)(O)c1cn(-c2ccccc2O)nn1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol?
The InChIKey is SXXPEZQMCIGEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,16)10-7-14(13-12-10)8-5-3-4-6-9(8)15/h3-7,15-16H,1-2H3.
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol?
2-[4-(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 2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]phenol is sourced from PubChem (CID 117167464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).