propyl (E)-3-phenylprop-2-enoate

C12H14O2 — CID 5270647

IUPACpropyl (E)-3-phenylprop-2-enoate
SMILESCCCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+
InChIKeyOLLPXZHNCXACMM-CMDGGOBGSA-N
MW190.24 g/mol
LogP2.65
Rot. Bonds4

About propyl (E)-3-phenylprop-2-enoate

propyl (E)-3-phenylprop-2-enoate (PubChem CID 5270647) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is propyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namepropyl (E)-3-phenylprop-2-enoate
PubChem CID5270647
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namepropyl (E)-3-phenylprop-2-enoate
SMILESCCCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+
InChIKeyOLLPXZHNCXACMM-CMDGGOBGSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl (E)-3-phenylprop-2-enoate?
The IUPAC name of propyl (E)-3-phenylprop-2-enoate (CID 5270647) is propyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for propyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for propyl (E)-3-phenylprop-2-enoate is CCCOC(=O)/C=C/c1ccccc1.
What is the InChIKey of propyl (E)-3-phenylprop-2-enoate?
The InChIKey is OLLPXZHNCXACMM-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+.
What are the key properties of propyl (E)-3-phenylprop-2-enoate?
propyl (E)-3-phenylprop-2-enoate 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 propyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 5270647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).