2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol

C12H15N3O — CID 117309492

IUPAC2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol
SMILESCC(C)(CO)c1ccccc1-n1nccn1
InChIInChI=1S/C12H15N3O/c1-12(2,9-16)10-5-3-4-6-11(10)15-13-7-8-14-15/h3-8,16H,9H2,1-2H3
InChIKeyUOKAKKIVMGPEPP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.54
Rot. Bonds3

About 2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol

2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol (PubChem CID 117309492) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol
PubChem CID117309492
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol
SMILESCC(C)(CO)c1ccccc1-n1nccn1
InChIInChI=1S/C12H15N3O/c1-12(2,9-16)10-5-3-4-6-11(10)15-13-7-8-14-15/h3-8,16H,9H2,1-2H3
InChIKeyUOKAKKIVMGPEPP-UHFFFAOYSA-N
XLogP1.54
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzotriazol-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)phenol
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2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 67918759
2-[2-(2-methoxypropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117113629
1-[2-(triazol-2-yl)phenyl]propan-1-one
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2-[2-[1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propyl]phenyl]-2-methylpropan-1-ol
CID 70404837
2-[2-[(dimethylamino)methyl]phenyl]-2-methylpropan-1-ol
CID 117296837
2-(2-pyrazol-1-ylphenyl)propan-2-ol
CID 117290916
2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
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2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
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2-[2-(triazol-2-yl)phenyl]ethanamine
CID 82404989

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol (CID 117309492) is 2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol is CC(C)(CO)c1ccccc1-n1nccn1.
What is the InChIKey of 2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol?
The InChIKey is UOKAKKIVMGPEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,9-16)10-5-3-4-6-11(10)15-13-7-8-14-15/h3-8,16H,9H2,1-2H3.
What are the key properties of 2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol?
2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(triazol-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 117309492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).