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

C17H17N3O — CID 114686365

IUPAC2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
SMILESCc1cccc(CC(O)c2cnnn2-c2ccccc2)c1
InChIInChI=1S/C17H17N3O/c1-13-6-5-7-14(10-13)11-17(21)16-12-18-19-20(16)15-8-3-2-4-9-15/h2-10,12,17,21H,11H2,1H3
InChIKeyDKPMNRYNSXNKKO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.85
Rot. Bonds4

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

2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol (PubChem CID 114686365) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
PubChem CID114686365
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
SMILESCc1cccc(CC(O)c2cnnn2-c2ccccc2)c1
InChIInChI=1S/C17H17N3O/c1-13-6-5-7-14(10-13)11-17(21)16-12-18-19-20(16)15-8-3-2-4-9-15/h2-10,12,17,21H,11H2,1H3
InChIKeyDKPMNRYNSXNKKO-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-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330309
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686363
1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol
CID 114686391
2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686314
1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
CID 66132887
2-(3-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129442
2-(3-methylphenyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105077898
2-(3-methylphenyl)-1-pyrimidin-5-ylethanol
CID 62491693
1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
CID 106689706
2-(3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81318745
(5-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanol
CID 115835877
(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol?
The IUPAC name of 2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol (CID 114686365) is 2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol is Cc1cccc(CC(O)c2cnnn2-c2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol?
The InChIKey is DKPMNRYNSXNKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-6-5-7-14(10-13)11-17(21)16-12-18-19-20(16)15-8-3-2-4-9-15/h2-10,12,17,21H,11H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol?
2-(3-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-(3-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol is sourced from PubChem (CID 114686365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).