[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate

C13H14O2 — CID 20693228

IUPAC[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
SMILESC/C=C/C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C13H14O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h2-10H,11H2,1H3/b7-2+,10-6+
InChIKeyYZGJCSBUICXYCX-FOYBORQGSA-N
MW202.25 g/mol
LogP2.82
Rot. Bonds4

About [(E)-3-phenylprop-2-enyl] (E)-but-2-enoate

[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate (PubChem CID 20693228) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] (E)-but-2-enoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
PubChem CID20693228
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
SMILESC/C=C/C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C13H14O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h2-10H,11H2,1H3/b7-2+,10-6+
InChIKeyYZGJCSBUICXYCX-FOYBORQGSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.82
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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Related Compounds

bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[(E)-3-phenylprop-2-enyl] butanoate;[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
CID 174922543
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate
CID 5352723
[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate
CID 53253335
ethyl (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate
CID 14940603
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
[(E)-3-phenylprop-2-enyl] (E)-3-[3,4-di(propanoyloxy)phenyl]prop-2-enoate
CID 56847084
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
ethyl (E)-but-2-enoate;styrene
CID 174773304

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] (E)-but-2-enoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] (E)-but-2-enoate (CID 20693228) is [(E)-3-phenylprop-2-enyl] (E)-but-2-enoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] (E)-but-2-enoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] (E)-but-2-enoate is C/C=C/C(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] (E)-but-2-enoate?
The InChIKey is YZGJCSBUICXYCX-FOYBORQGSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h2-10H,11H2,1H3/b7-2+,10-6+.
What are the key properties of [(E)-3-phenylprop-2-enyl] (E)-but-2-enoate?
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] (E)-but-2-enoate is sourced from PubChem (CID 20693228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).