(2R,4R)-2-benzyl-4-chlorooxane

C12H15ClO — CID 11367820

IUPAC(2R,4R)-2-benzyl-4-chlorooxane
SMILESCl[C@@H]1CCO[C@H](Cc2ccccc2)C1
InChIInChI=1S/C12H15ClO/c13-11-6-7-14-12(9-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m1/s1
InChIKeyOITIAXBHMWEJNN-VXGBXAGGSA-N
MW210.70 g/mol
LogP3.02
Rot. Bonds2

About (2R,4R)-2-benzyl-4-chlorooxane

(2R,4R)-2-benzyl-4-chlorooxane (PubChem CID 11367820) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is (2R,4R)-2-benzyl-4-chlorooxane.

Molecular Properties

Compound Name(2R,4R)-2-benzyl-4-chlorooxane
PubChem CID11367820
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name(2R,4R)-2-benzyl-4-chlorooxane
SMILESCl[C@@H]1CCO[C@H](Cc2ccccc2)C1
InChIInChI=1S/C12H15ClO/c13-11-6-7-14-12(9-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m1/s1
InChIKeyOITIAXBHMWEJNN-VXGBXAGGSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-benzyl-4-chlorooxane?
The IUPAC name of (2R,4R)-2-benzyl-4-chlorooxane (CID 11367820) is (2R,4R)-2-benzyl-4-chlorooxane.
What is the SMILES notation for (2R,4R)-2-benzyl-4-chlorooxane?
The canonical SMILES for (2R,4R)-2-benzyl-4-chlorooxane is Cl[C@@H]1CCO[C@H](Cc2ccccc2)C1.
What is the InChIKey of (2R,4R)-2-benzyl-4-chlorooxane?
The InChIKey is OITIAXBHMWEJNN-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H15ClO/c13-11-6-7-14-12(9-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-2-benzyl-4-chlorooxane?
(2R,4R)-2-benzyl-4-chlorooxane has a molecular weight of 210.70 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-benzyl-4-chlorooxane is sourced from PubChem (CID 11367820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).