2-(4-phenyltriazol-1-yl)cyclooctan-1-ol

C16H21N3O — CID 139241142

IUPAC2-(4-phenyltriazol-1-yl)cyclooctan-1-ol
SMILESOC1CCCCCCC1n1cc(-c2ccccc2)nn1
InChIInChI=1S/C16H21N3O/c20-16-11-7-2-1-6-10-15(16)19-12-14(17-18-19)13-8-4-3-5-9-13/h3-5,8-9,12,15-16,20H,1-2,6-7,10-11H2
InChIKeyWAZWPVDEXXILIU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.20
Rot. Bonds2

About 2-(4-phenyltriazol-1-yl)cyclooctan-1-ol

2-(4-phenyltriazol-1-yl)cyclooctan-1-ol (PubChem CID 139241142) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-phenyltriazol-1-yl)cyclooctan-1-ol.

Molecular Properties

Compound Name2-(4-phenyltriazol-1-yl)cyclooctan-1-ol
PubChem CID139241142
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(4-phenyltriazol-1-yl)cyclooctan-1-ol
SMILESOC1CCCCCCC1n1cc(-c2ccccc2)nn1
InChIInChI=1S/C16H21N3O/c20-16-11-7-2-1-6-10-15(16)19-12-14(17-18-19)13-8-4-3-5-9-13/h3-5,8-9,12,15-16,20H,1-2,6-7,10-11H2
InChIKeyWAZWPVDEXXILIU-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyltriazol-1-yl)cyclooctan-1-ol?
The IUPAC name of 2-(4-phenyltriazol-1-yl)cyclooctan-1-ol (CID 139241142) is 2-(4-phenyltriazol-1-yl)cyclooctan-1-ol.
What is the SMILES notation for 2-(4-phenyltriazol-1-yl)cyclooctan-1-ol?
The canonical SMILES for 2-(4-phenyltriazol-1-yl)cyclooctan-1-ol is OC1CCCCCCC1n1cc(-c2ccccc2)nn1.
What is the InChIKey of 2-(4-phenyltriazol-1-yl)cyclooctan-1-ol?
The InChIKey is WAZWPVDEXXILIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-11-7-2-1-6-10-15(16)19-12-14(17-18-19)13-8-4-3-5-9-13/h3-5,8-9,12,15-16,20H,1-2,6-7,10-11H2.
What are the key properties of 2-(4-phenyltriazol-1-yl)cyclooctan-1-ol?
2-(4-phenyltriazol-1-yl)cyclooctan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyltriazol-1-yl)cyclooctan-1-ol is sourced from PubChem (CID 139241142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).