(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane

C11H14O — CID 10487206

IUPAC(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
SMILESC[C@H](Cc1ccccc1)[C@H]1CO1
InChIInChI=1S/C11H14O/c1-9(11-8-12-11)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m1/s1
InChIKeyYXAGNGAXNKUWOV-MWLCHTKSSA-N
MW162.23 g/mol
LogP2.26
Rot. Bonds3

About (2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane

(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane (PubChem CID 10487206) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
PubChem CID10487206
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
SMILESC[C@H](Cc1ccccc1)[C@H]1CO1
InChIInChI=1S/C11H14O/c1-9(11-8-12-11)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m1/s1
InChIKeyYXAGNGAXNKUWOV-MWLCHTKSSA-N
XLogP2.26
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-2-[(2R)-1-phenylpropan-2-yl]oxirane?
The IUPAC name of (2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane (CID 10487206) is (2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane.
What is the SMILES notation for (2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane?
The canonical SMILES for (2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane is C[C@H](Cc1ccccc1)[C@H]1CO1.
What is the InChIKey of (2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane?
The InChIKey is YXAGNGAXNKUWOV-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H14O/c1-9(11-8-12-11)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11-/m1/s1.
What are the key properties of (2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane?
(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane has a molecular weight of 162.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane is sourced from PubChem (CID 10487206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).