prop-2-enyl (E)-3-phenylprop-2-enoate

C12H12O2 — CID 641423

IUPACprop-2-enyl (E)-3-phenylprop-2-enoate
SMILESC=CCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8+
InChIKeyKCMITHMNVLRGJU-CMDGGOBGSA-N
MW188.23 g/mol
LogP2.43
Rot. Bonds4

About prop-2-enyl (E)-3-phenylprop-2-enoate

prop-2-enyl (E)-3-phenylprop-2-enoate (PubChem CID 641423) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is prop-2-enyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E)-3-phenylprop-2-enoate
PubChem CID641423
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Nameprop-2-enyl (E)-3-phenylprop-2-enoate
SMILESC=CCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8+
InChIKeyKCMITHMNVLRGJU-CMDGGOBGSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (E)-3-phenylprop-2-enoate?
The IUPAC name of prop-2-enyl (E)-3-phenylprop-2-enoate (CID 641423) is prop-2-enyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for prop-2-enyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for prop-2-enyl (E)-3-phenylprop-2-enoate is C=CCOC(=O)/C=C/c1ccccc1.
What is the InChIKey of prop-2-enyl (E)-3-phenylprop-2-enoate?
The InChIKey is KCMITHMNVLRGJU-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8+.
What are the key properties of prop-2-enyl (E)-3-phenylprop-2-enoate?
prop-2-enyl (E)-3-phenylprop-2-enoate has a molecular weight of 188.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 641423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).