(2S)-2-(2-phenylethyl)oxirane

C10H12O — CID 12003885

IUPAC(2S)-2-(2-phenylethyl)oxirane
SMILESc1ccc(CC[C@H]2CO2)cc1
InChIInChI=1S/C10H12O/c1-2-4-9(5-3-1)6-7-10-8-11-10/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyJVGAGAVQROERFI-JTQLQIEISA-N
MW148.20 g/mol
LogP2.02
Rot. Bonds3

About (2S)-2-(2-phenylethyl)oxirane

(2S)-2-(2-phenylethyl)oxirane (PubChem CID 12003885) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (2S)-2-(2-phenylethyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(2-phenylethyl)oxirane
PubChem CID12003885
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(2S)-2-(2-phenylethyl)oxirane
SMILESc1ccc(CC[C@H]2CO2)cc1
InChIInChI=1S/C10H12O/c1-2-4-9(5-3-1)6-7-10-8-11-10/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyJVGAGAVQROERFI-JTQLQIEISA-N
XLogP2.02
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.02
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-(2-phenylethyl)oxirane?
The IUPAC name of (2S)-2-(2-phenylethyl)oxirane (CID 12003885) is (2S)-2-(2-phenylethyl)oxirane.
What is the SMILES notation for (2S)-2-(2-phenylethyl)oxirane?
The canonical SMILES for (2S)-2-(2-phenylethyl)oxirane is c1ccc(CC[C@H]2CO2)cc1.
What is the InChIKey of (2S)-2-(2-phenylethyl)oxirane?
The InChIKey is JVGAGAVQROERFI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12O/c1-2-4-9(5-3-1)6-7-10-8-11-10/h1-5,10H,6-8H2/t10-/m0/s1.
What are the key properties of (2S)-2-(2-phenylethyl)oxirane?
(2S)-2-(2-phenylethyl)oxirane has a molecular weight of 148.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-phenylethyl)oxirane is sourced from PubChem (CID 12003885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).