2-[2-(3-ethenylphenyl)ethyl]oxirane

C12H14O — CID 54340716

IUPAC2-[2-(3-ethenylphenyl)ethyl]oxirane
SMILESC=Cc1cccc(CCC2CO2)c1
InChIInChI=1S/C12H14O/c1-2-10-4-3-5-11(8-10)6-7-12-9-13-12/h2-5,8,12H,1,6-7,9H2
InChIKeyKXSQIGAQQNSMAS-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.66
Rot. Bonds4

About 2-[2-(3-ethenylphenyl)ethyl]oxirane

2-[2-(3-ethenylphenyl)ethyl]oxirane (PubChem CID 54340716) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[2-(3-ethenylphenyl)ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(3-ethenylphenyl)ethyl]oxirane
PubChem CID54340716
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-[2-(3-ethenylphenyl)ethyl]oxirane
SMILESC=Cc1cccc(CCC2CO2)c1
InChIInChI=1S/C12H14O/c1-2-10-4-3-5-11(8-10)6-7-12-9-13-12/h2-5,8,12H,1,6-7,9H2
InChIKeyKXSQIGAQQNSMAS-UHFFFAOYSA-N
XLogP2.66
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.66
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 2-[2-(3-ethenylphenyl)ethyl]oxirane?
The IUPAC name of 2-[2-(3-ethenylphenyl)ethyl]oxirane (CID 54340716) is 2-[2-(3-ethenylphenyl)ethyl]oxirane.
What is the SMILES notation for 2-[2-(3-ethenylphenyl)ethyl]oxirane?
The canonical SMILES for 2-[2-(3-ethenylphenyl)ethyl]oxirane is C=Cc1cccc(CCC2CO2)c1.
What is the InChIKey of 2-[2-(3-ethenylphenyl)ethyl]oxirane?
The InChIKey is KXSQIGAQQNSMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-10-4-3-5-11(8-10)6-7-12-9-13-12/h2-5,8,12H,1,6-7,9H2.
What are the key properties of 2-[2-(3-ethenylphenyl)ethyl]oxirane?
2-[2-(3-ethenylphenyl)ethyl]oxirane has a molecular weight of 174.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethenylphenyl)ethyl]oxirane is sourced from PubChem (CID 54340716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).