trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol

C12H16OSe — CID 11436759

IUPACtrans-(1S,2S)-2-phenylselanylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1[Se]c1ccccc1
InChIInChI=1S/C12H16OSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12-/m0/s1
InChIKeyXNFLWQDTWVENJE-RYUDHWBXSA-N
MW255.22 g/mol
LogP1.74
Rot. Bonds2

About trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol

trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol (PubChem CID 11436759) has the molecular formula C12H16OSe and a molecular weight of 255.22 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenylselanylcyclohexan-1-ol
PubChem CID11436759
Molecular FormulaC12H16OSe
Molecular Weight255.22 g/mol
Exact Mass256.04
IUPAC Nametrans-(1S,2S)-2-phenylselanylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1[Se]c1ccccc1
InChIInChI=1S/C12H16OSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12-/m0/s1
InChIKeyXNFLWQDTWVENJE-RYUDHWBXSA-N
XLogP1.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.74
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 trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol (CID 11436759) is trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol is O[C@H]1CCCC[C@@H]1[Se]c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol?
The InChIKey is XNFLWQDTWVENJE-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16OSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol?
trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol has a molecular weight of 255.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol is sourced from PubChem (CID 11436759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).