ethyl [(E)-3-phenylprop-2-enyl] carbonate

C12H14O3 — CID 5355242

IUPACethyl [(E)-3-phenylprop-2-enyl] carbonate
SMILESCCOC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C12H14O3/c1-2-14-12(13)15-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+
InChIKeyWYLLQLJZPWNHMA-RMKNXTFCSA-N
MW206.24 g/mol
LogP2.87
Rot. Bonds4

About ethyl [(E)-3-phenylprop-2-enyl] carbonate

ethyl [(E)-3-phenylprop-2-enyl] carbonate (PubChem CID 5355242) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl [(E)-3-phenylprop-2-enyl] carbonate.

Molecular Properties

Compound Nameethyl [(E)-3-phenylprop-2-enyl] carbonate
PubChem CID5355242
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameethyl [(E)-3-phenylprop-2-enyl] carbonate
SMILESCCOC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C12H14O3/c1-2-14-12(13)15-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+
InChIKeyWYLLQLJZPWNHMA-RMKNXTFCSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl [(E)-3-phenylprop-2-enyl] carbonate?
The IUPAC name of ethyl [(E)-3-phenylprop-2-enyl] carbonate (CID 5355242) is ethyl [(E)-3-phenylprop-2-enyl] carbonate.
What is the SMILES notation for ethyl [(E)-3-phenylprop-2-enyl] carbonate?
The canonical SMILES for ethyl [(E)-3-phenylprop-2-enyl] carbonate is CCOC(=O)OC/C=C/c1ccccc1.
What is the InChIKey of ethyl [(E)-3-phenylprop-2-enyl] carbonate?
The InChIKey is WYLLQLJZPWNHMA-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-14-12(13)15-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+.
What are the key properties of ethyl [(E)-3-phenylprop-2-enyl] carbonate?
ethyl [(E)-3-phenylprop-2-enyl] carbonate has a molecular weight of 206.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(E)-3-phenylprop-2-enyl] carbonate is sourced from PubChem (CID 5355242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).