1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol

C12H15N3O2 — CID 110877241

IUPAC1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
SMILESCc1ccccc1OCC(O)Cn1cnnc1
InChIInChI=1S/C12H15N3O2/c1-10-4-2-3-5-12(10)17-7-11(16)6-15-8-13-14-9-15/h2-5,8-9,11,16H,6-7H2,1H3
InChIKeyAHYSIBWTPHOCTI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.03
Rot. Bonds5

About 1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol

1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol (PubChem CID 110877241) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
PubChem CID110877241
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
SMILESCc1ccccc1OCC(O)Cn1cnnc1
InChIInChI=1S/C12H15N3O2/c1-10-4-2-3-5-12(10)17-7-11(16)6-15-8-13-14-9-15/h2-5,8-9,11,16H,6-7H2,1H3
InChIKeyAHYSIBWTPHOCTI-UHFFFAOYSA-N
XLogP1.03
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 75520357
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
1-(1,2,4-triazol-4-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 110877250
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 125135773
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886
(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 11901367
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
hydron;1-(2-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;chloride
CID 91980777
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol (CID 110877241) is 1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol is Cc1ccccc1OCC(O)Cn1cnnc1.
What is the InChIKey of 1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol?
The InChIKey is AHYSIBWTPHOCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-10-4-2-3-5-12(10)17-7-11(16)6-15-8-13-14-9-15/h2-5,8-9,11,16H,6-7H2,1H3.
What are the key properties of 1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol?
1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol has a molecular weight of 233.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol is sourced from PubChem (CID 110877241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).