(3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane

C10H12O3 — CID 59348058

IUPAC(3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane
SMILES[2H]C1([2H])O[C@]1([2H])c1cccc(OCOC)c1
InChIInChI=1S/C10H12O3/c1-11-7-13-9-4-2-3-8(5-9)10-6-12-10/h2-5,10H,6-7H2,1H3/t10-/m0/s1/i6D2,10D
InChIKeyDFAGXITXCGGFFH-YOQPZMKCSA-N
MW183.22 g/mol
LogP1.74
Rot. Bonds4

About (3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane

(3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane (PubChem CID 59348058) has the molecular formula C10H12O3 and a molecular weight of 183.22 g/mol. Its IUPAC name is (3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane.

Molecular Properties

Compound Name(3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane
PubChem CID59348058
Molecular FormulaC10H12O3
Molecular Weight183.22 g/mol
Exact Mass183.10
IUPAC Name(3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane
SMILES[2H]C1([2H])O[C@]1([2H])c1cccc(OCOC)c1
InChIInChI=1S/C10H12O3/c1-11-7-13-9-4-2-3-8(5-9)10-6-12-10/h2-5,10H,6-7H2,1H3/t10-/m0/s1/i6D2,10D
InChIKeyDFAGXITXCGGFFH-YOQPZMKCSA-N
XLogP1.74
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane?
The IUPAC name of (3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane (CID 59348058) is (3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane.
What is the SMILES notation for (3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane?
The canonical SMILES for (3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane is [2H]C1([2H])O[C@]1([2H])c1cccc(OCOC)c1.
What is the InChIKey of (3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane?
The InChIKey is DFAGXITXCGGFFH-YOQPZMKCSA-N. The full InChI is InChI=1S/C10H12O3/c1-11-7-13-9-4-2-3-8(5-9)10-6-12-10/h2-5,10H,6-7H2,1H3/t10-/m0/s1/i6D2,10D.
What are the key properties of (3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane?
(3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane has a molecular weight of 183.22 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3-trideuterio-3-[3-(methoxymethoxy)phenyl]oxirane is sourced from PubChem (CID 59348058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).