1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol

C15H18BrN3O — CID 106461059

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol
SMILESCn1nnc(Br)c1C1(O)CCCCC1c1ccccc1
InChIInChI=1S/C15H18BrN3O/c1-19-13(14(16)17-18-19)15(20)10-6-5-9-12(15)11-7-3-2-4-8-11/h2-4,7-8,12,20H,5-6,9-10H2,1H3
InChIKeyKQKOMTKJEWEQGE-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.12
Rot. Bonds2

About 1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol

1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol (PubChem CID 106461059) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol
PubChem CID106461059
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol
SMILESCn1nnc(Br)c1C1(O)CCCCC1c1ccccc1
InChIInChI=1S/C15H18BrN3O/c1-19-13(14(16)17-18-19)15(20)10-6-5-9-12(15)11-7-3-2-4-8-11/h2-4,7-8,12,20H,5-6,9-10H2,1H3
InChIKeyKQKOMTKJEWEQGE-UHFFFAOYSA-N
XLogP3.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol
CID 114633240
1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol
CID 63974813
1-(1-ethylimidazol-2-yl)-2-phenylcyclohexan-1-ol
CID 63974580
1-(2,5-dimethylphenyl)-2-phenylcyclohexan-1-ol
CID 63407170
1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol
CID 79691792
3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol
CID 106461103
(5-bromo-3-methyltriazol-4-yl)-(1-phenylcyclopentyl)methanone
CID 106461541
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
CID 82870077
1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol
CID 105393716
(2R,4aR,8aS)-4a-hydroxy-1-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinolin-4-one
CID 11889561
1-hydroxy-2-phenylcyclohexane-1-sulfonic acid
CID 103574511

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol (CID 106461059) is 1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol is Cn1nnc(Br)c1C1(O)CCCCC1c1ccccc1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol?
The InChIKey is KQKOMTKJEWEQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-19-13(14(16)17-18-19)15(20)10-6-5-9-12(15)11-7-3-2-4-8-11/h2-4,7-8,12,20H,5-6,9-10H2,1H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol?
1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol has a molecular weight of 336.23 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 106461059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).