1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol

C12H14ClN3O — CID 107065654

IUPAC1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCc1ccc(Cl)cc1C(O)Cc1cn(C)nn1
InChIInChI=1S/C12H14ClN3O/c1-8-3-4-9(13)5-11(8)12(17)6-10-7-16(2)15-14-10/h3-5,7,12,17H,6H2,1-2H3
InChIKeyBYSIFGSOKUJESG-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.05
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol

1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107065654) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107065654
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCc1ccc(Cl)cc1C(O)Cc1cn(C)nn1
InChIInChI=1S/C12H14ClN3O/c1-8-3-4-9(13)5-11(8)12(17)6-10-7-16(2)15-14-10/h3-5,7,12,17H,6H2,1-2H3
InChIKeyBYSIFGSOKUJESG-UHFFFAOYSA-N
XLogP2.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 114028372
1-(2-bromo-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107985909
1-(2,5-dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045985
1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063841
[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066602
1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048060
(1S)-1-[5-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043853
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045954
1-(3-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046440
1-(5-chloro-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980972
1-(5-chloro-2-methylphenyl)-2-(furan-3-yl)ethanol
CID 115830406
1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045816

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol (CID 107065654) is 1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol is Cc1ccc(Cl)cc1C(O)Cc1cn(C)nn1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is BYSIFGSOKUJESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8-3-4-9(13)5-11(8)12(17)6-10-7-16(2)15-14-10/h3-5,7,12,17H,6H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol?
1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 251.72 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107065654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).