1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol

C11H10Br2ClN3O — CID 106461375

IUPAC1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol
SMILESCn1nnc(Br)c1C(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H10Br2ClN3O/c1-11(18,9-10(13)15-16-17(9)2)7-4-3-6(12)5-8(7)14/h3-5,18H,1-2H3
InChIKeyLQHNCTWVGJNJLT-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.25
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol

1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol (PubChem CID 106461375) has the molecular formula C11H10Br2ClN3O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol
PubChem CID106461375
Molecular FormulaC11H10Br2ClN3O
Molecular Weight395.48 g/mol
Exact Mass392.89
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol
SMILESCn1nnc(Br)c1C(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H10Br2ClN3O/c1-11(18,9-10(13)15-16-17(9)2)7-4-3-6(12)5-8(7)14/h3-5,18H,1-2H3
InChIKeyLQHNCTWVGJNJLT-UHFFFAOYSA-N
XLogP3.25
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol (CID 106461375) is 1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol is Cn1nnc(Br)c1C(C)(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol?
The InChIKey is LQHNCTWVGJNJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2ClN3O/c1-11(18,9-10(13)15-16-17(9)2)7-4-3-6(12)5-8(7)14/h3-5,18H,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol?
1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol has a molecular weight of 395.48 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 106461375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).