2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol

C17H17N3O — CID 114686363

IUPAC2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
SMILESCc1ccccc1CC(O)c1cnnn1-c1ccccc1
InChIInChI=1S/C17H17N3O/c1-13-7-5-6-8-14(13)11-17(21)16-12-18-19-20(16)15-9-3-2-4-10-15/h2-10,12,17,21H,11H2,1H3
InChIKeyXRECMOXJHWAVEZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.85
Rot. Bonds4

About 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol

2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol (PubChem CID 114686363) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
PubChem CID114686363
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
SMILESCc1ccccc1CC(O)c1cnnn1-c1ccccc1
InChIInChI=1S/C17H17N3O/c1-13-7-5-6-8-14(13)11-17(21)16-12-18-19-20(16)15-9-3-2-4-10-15/h2-10,12,17,21H,11H2,1H3
InChIKeyXRECMOXJHWAVEZ-UHFFFAOYSA-N
XLogP2.85
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686314
2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686365
1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol
CID 114686391
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone
CID 114685688
2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 61089136
1,2-bis(2-methylphenyl)ethanol
CID 60798292
(5-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanol
CID 115835877
2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanol
CID 105078109
2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol
CID 114686558
2-(2-methylphenyl)-1-pyridin-4-ylethanol
CID 60797615
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol?
The IUPAC name of 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol (CID 114686363) is 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol is Cc1ccccc1CC(O)c1cnnn1-c1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol?
The InChIKey is XRECMOXJHWAVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-7-5-6-8-14(13)11-17(21)16-12-18-19-20(16)15-9-3-2-4-10-15/h2-10,12,17,21H,11H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol?
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol has a molecular weight of 279.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol is sourced from PubChem (CID 114686363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).