(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane

C11H14O2 — CID 7127515

IUPAC(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
SMILESCc1cccc(C)c1OC[C@H]1CO1
InChIInChI=1S/C11H14O2/c1-8-4-3-5-9(2)11(8)13-7-10-6-12-10/h3-5,10H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyVHWHISLSSKROOL-SNVBAGLBSA-N
MW178.23 g/mol
LogP2.08
Rot. Bonds3

About (2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane

(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane (PubChem CID 7127515) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
PubChem CID7127515
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
SMILESCc1cccc(C)c1OC[C@H]1CO1
InChIInChI=1S/C11H14O2/c1-8-4-3-5-9(2)11(8)13-7-10-6-12-10/h3-5,10H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyVHWHISLSSKROOL-SNVBAGLBSA-N
XLogP2.08
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane?
The IUPAC name of (2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane (CID 7127515) is (2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane.
What is the SMILES notation for (2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane?
The canonical SMILES for (2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane is Cc1cccc(C)c1OC[C@H]1CO1.
What is the InChIKey of (2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane?
The InChIKey is VHWHISLSSKROOL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-4-3-5-9(2)11(8)13-7-10-6-12-10/h3-5,10H,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane?
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane has a molecular weight of 178.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane is sourced from PubChem (CID 7127515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).