(2S,3S)-2-(methoxymethyl)-3-phenyloxirane

C10H12O2 — CID 11309704

IUPAC(2S,3S)-2-(methoxymethyl)-3-phenyloxirane
SMILESCOC[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C10H12O2/c1-11-7-9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10-/m0/s1
InChIKeyZRKFSZMYFFNIHK-UWVGGRQHSA-N
MW164.20 g/mol
LogP1.77
Rot. Bonds3

About (2S,3S)-2-(methoxymethyl)-3-phenyloxirane

(2S,3S)-2-(methoxymethyl)-3-phenyloxirane (PubChem CID 11309704) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2S,3S)-2-(methoxymethyl)-3-phenyloxirane.

Molecular Properties

Compound Name(2S,3S)-2-(methoxymethyl)-3-phenyloxirane
PubChem CID11309704
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(2S,3S)-2-(methoxymethyl)-3-phenyloxirane
SMILESCOC[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C10H12O2/c1-11-7-9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10-/m0/s1
InChIKeyZRKFSZMYFFNIHK-UWVGGRQHSA-N
XLogP1.77
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.77
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 (2S,3S)-2-(methoxymethyl)-3-phenyloxirane?
The IUPAC name of (2S,3S)-2-(methoxymethyl)-3-phenyloxirane (CID 11309704) is (2S,3S)-2-(methoxymethyl)-3-phenyloxirane.
What is the SMILES notation for (2S,3S)-2-(methoxymethyl)-3-phenyloxirane?
The canonical SMILES for (2S,3S)-2-(methoxymethyl)-3-phenyloxirane is COC[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-(methoxymethyl)-3-phenyloxirane?
The InChIKey is ZRKFSZMYFFNIHK-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H12O2/c1-11-7-9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-(methoxymethyl)-3-phenyloxirane?
(2S,3S)-2-(methoxymethyl)-3-phenyloxirane has a molecular weight of 164.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(methoxymethyl)-3-phenyloxirane is sourced from PubChem (CID 11309704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).