ethenyl 2-phenylpropanoate

C11H12O2 — CID 11116578

IUPACethenyl 2-phenylpropanoate
SMILESC=COC(=O)C(C)c1ccccc1
InChIInChI=1S/C11H12O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3
InChIKeyOXOOCPOAHFLTSD-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.48
Rot. Bonds3

About ethenyl 2-phenylpropanoate

ethenyl 2-phenylpropanoate (PubChem CID 11116578) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is ethenyl 2-phenylpropanoate.

Molecular Properties

Compound Nameethenyl 2-phenylpropanoate
PubChem CID11116578
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Nameethenyl 2-phenylpropanoate
SMILESC=COC(=O)C(C)c1ccccc1
InChIInChI=1S/C11H12O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3
InChIKeyOXOOCPOAHFLTSD-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethenyl 2-phenylbutanoate
CID 10932238
ethenyl 2-acetyloxy-2-phenylacetate
CID 174358025
ethenyl 2-phenylpropanimidate
CID 151371643
ethenyl acetate;1-phenylethanol
CID 170349745
ethenyl 1-phenylethyl carbonate
CID 11008749
ethenyl 3-hydroxy-2-phenylpropanoate
CID 168863164
ethenyl (3R)-3-phenylbutanoate
CID 10487918
ethyl (2S)-2-phenylpropanoate
CID 7204861
propyl (2R)-2-phenylpropanoate
CID 14926551
1-phenylpropyl 2-phenylpropanoate
CID 174489936
methyl 2-phenylpropanoate;sulfuryl dichloride
CID 174591515
2-phenylpropanoic acid;hydrate
CID 139796091

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-phenylpropanoate?
The IUPAC name of ethenyl 2-phenylpropanoate (CID 11116578) is ethenyl 2-phenylpropanoate.
What is the SMILES notation for ethenyl 2-phenylpropanoate?
The canonical SMILES for ethenyl 2-phenylpropanoate is C=COC(=O)C(C)c1ccccc1.
What is the InChIKey of ethenyl 2-phenylpropanoate?
The InChIKey is OXOOCPOAHFLTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3.
What are the key properties of ethenyl 2-phenylpropanoate?
ethenyl 2-phenylpropanoate has a molecular weight of 176.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-phenylpropanoate is sourced from PubChem (CID 11116578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).