(1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

C17H25ClOTe — CID 15349762

IUPAC(1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C[Te@@](C)(Cl)c1ccccc1)[C@H](O)C2
InChIInChI=1S/C17H25ClOTe/c1-16(2)13-9-10-17(16,15(19)11-13)12-20(3,18)14-7-5-4-6-8-14/h4-8,13,15,19H,9-12H2,1-3H3/t13-,15-,17-/m1/s1
InChIKeyGYQHSFLIMBVTTG-FRFSOERESA-N
MW408.44 g/mol
LogP3.89
Rot. Bonds3

About (1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

(1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 15349762) has the molecular formula C17H25ClOTe and a molecular weight of 408.44 g/mol. Its IUPAC name is (1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID15349762
Molecular FormulaC17H25ClOTe
Molecular Weight408.44 g/mol
Exact Mass410.07
IUPAC Name(1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C[Te@@](C)(Cl)c1ccccc1)[C@H](O)C2
InChIInChI=1S/C17H25ClOTe/c1-16(2)13-9-10-17(16,15(19)11-13)12-20(3,18)14-7-5-4-6-8-14/h4-8,13,15,19H,9-12H2,1-3H3/t13-,15-,17-/m1/s1
InChIKeyGYQHSFLIMBVTTG-FRFSOERESA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 15349762) is (1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C[Te@@](C)(Cl)c1ccccc1)[C@H](O)C2.
What is the InChIKey of (1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is GYQHSFLIMBVTTG-FRFSOERESA-N. The full InChI is InChI=1S/C17H25ClOTe/c1-16(2)13-9-10-17(16,15(19)11-13)12-20(3,18)14-7-5-4-6-8-14/h4-8,13,15,19H,9-12H2,1-3H3/t13-,15-,17-/m1/s1.
What are the key properties of (1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
(1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 408.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-1-[(chloro-methyl-phenyl-lambda4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 15349762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).