2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol

C15H21N3O — CID 114686393

IUPAC2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H21N3O/c1-4-5-18-14(10-16-17-18)15(19)9-13-7-11(2)6-12(3)8-13/h6-8,10,15,19H,4-5,9H2,1-3H3
InChIKeyMQGYPXXZKISJFG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol

2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol (PubChem CID 114686393) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
PubChem CID114686393
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H21N3O/c1-4-5-18-14(10-16-17-18)15(19)9-13-7-11(2)6-12(3)8-13/h6-8,10,15,19H,4-5,9H2,1-3H3
InChIKeyMQGYPXXZKISJFG-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920
2-(3-bromophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686324
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686403
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686351
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine
CID 114213187
N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol (CID 114686393) is 2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol is CCCn1nncc1C(O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol?
The InChIKey is MQGYPXXZKISJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-5-18-14(10-16-17-18)15(19)9-13-7-11(2)6-12(3)8-13/h6-8,10,15,19H,4-5,9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol?
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol is sourced from PubChem (CID 114686393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).