3-phenylprop-2-enyl propanoate

C12H14O2 — CID 7661

IUPAC3-phenylprop-2-enyl propanoate
SMILESCCC(=O)OCC=Cc1ccccc1
InChIInChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3
InChIKeyKGDJMNKPBUNHGY-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.65
Rot. Bonds4

About 3-phenylprop-2-enyl propanoate

3-phenylprop-2-enyl propanoate (PubChem CID 7661) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-phenylprop-2-enyl propanoate.

Molecular Properties

Compound Name3-phenylprop-2-enyl propanoate
PubChem CID7661
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-phenylprop-2-enyl propanoate
SMILESCCC(=O)OCC=Cc1ccccc1
InChIInChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3
InChIKeyKGDJMNKPBUNHGY-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enyl propanoate?
The IUPAC name of 3-phenylprop-2-enyl propanoate (CID 7661) is 3-phenylprop-2-enyl propanoate.
What is the SMILES notation for 3-phenylprop-2-enyl propanoate?
The canonical SMILES for 3-phenylprop-2-enyl propanoate is CCC(=O)OCC=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-enyl propanoate?
The InChIKey is KGDJMNKPBUNHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3.
What are the key properties of 3-phenylprop-2-enyl propanoate?
3-phenylprop-2-enyl propanoate has a molecular weight of 190.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-enyl propanoate is sourced from PubChem (CID 7661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).