(1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

C18H25N3O — CID 134957612

IUPAC(1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCCCCc1cn([C@@H]2CCc3ccccc3[C@@H]2O)nn1
InChIInChI=1S/C18H25N3O/c1-2-3-4-5-9-15-13-21(20-19-15)17-12-11-14-8-6-7-10-16(14)18(17)22/h6-8,10,13,17-18,22H,2-5,9,11-12H2,1H3/t17-,18+/m1/s1
InChIKeyVIQJVJIIQUDJNZ-MSOLQXFVSA-N
MW299.42 g/mol
LogP3.62
Rot. Bonds6

About (1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

(1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 134957612) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID134957612
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCCCCc1cn([C@@H]2CCc3ccccc3[C@@H]2O)nn1
InChIInChI=1S/C18H25N3O/c1-2-3-4-5-9-15-13-21(20-19-15)17-12-11-14-8-6-7-10-16(14)18(17)22/h6-8,10,13,17-18,22H,2-5,9,11-12H2,1H3/t17-,18+/m1/s1
InChIKeyVIQJVJIIQUDJNZ-MSOLQXFVSA-N
XLogP3.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 134957612) is (1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is CCCCCCc1cn([C@@H]2CCc3ccccc3[C@@H]2O)nn1.
What is the InChIKey of (1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is VIQJVJIIQUDJNZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-3-4-5-9-15-13-21(20-19-15)17-12-11-14-8-6-7-10-16(14)18(17)22/h6-8,10,13,17-18,22H,2-5,9,11-12H2,1H3/t17-,18+/m1/s1.
What are the key properties of (1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 299.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 134957612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).