(1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

C18H27ClOTe — CID 15349763

IUPAC(1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC[Te@@](Cl)(C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1
InChIInChI=1S/C18H27ClOTe/c1-4-21(19,15-8-6-5-7-9-15)13-18-11-10-14(12-16(18)20)17(18,2)3/h5-9,14,16,20H,4,10-13H2,1-3H3/t14-,16-,18-/m1/s1
InChIKeyNVSRRCGGGVENRX-QGPMSJSTSA-N
MW422.47 g/mol
LogP4.28
Rot. Bonds4

About (1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

(1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 15349763) has the molecular formula C18H27ClOTe and a molecular weight of 422.47 g/mol. Its IUPAC name is (1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID15349763
Molecular FormulaC18H27ClOTe
Molecular Weight422.47 g/mol
Exact Mass424.08
IUPAC Name(1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC[Te@@](Cl)(C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1
InChIInChI=1S/C18H27ClOTe/c1-4-21(19,15-8-6-5-7-9-15)13-18-11-10-14(12-16(18)20)17(18,2)3/h5-9,14,16,20H,4,10-13H2,1-3H3/t14-,16-,18-/m1/s1
InChIKeyNVSRRCGGGVENRX-QGPMSJSTSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 15349763) is (1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CC[Te@@](Cl)(C[C@]12CC[C@H](C[C@H]1O)C2(C)C)c1ccccc1.
What is the InChIKey of (1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is NVSRRCGGGVENRX-QGPMSJSTSA-N. The full InChI is InChI=1S/C18H27ClOTe/c1-4-21(19,15-8-6-5-7-9-15)13-18-11-10-14(12-16(18)20)17(18,2)3/h5-9,14,16,20H,4,10-13H2,1-3H3/t14-,16-,18-/m1/s1.
What are the key properties of (1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
(1S,2R,4R)-1-[(chloro-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 422.47 g/mol, XLogP of 4.28, 4 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-ethyl-phenyl-λ4-tellanyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 15349763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).