(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one

C14H16O2 — CID 11310468

IUPAC(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
SMILESCC(=O)/C=C/COC/C=C/c1ccccc1
InChIInChI=1S/C14H16O2/c1-13(15)7-5-11-16-12-6-10-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3/b7-5+,10-6+
InChIKeyVMOYDXOORQCUBY-YLNKAEQOSA-N
MW216.28 g/mol
LogP2.86
Rot. Bonds6

About (E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one

(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one (PubChem CID 11310468) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
PubChem CID11310468
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
SMILESCC(=O)/C=C/COC/C=C/c1ccccc1
InChIInChI=1S/C14H16O2/c1-13(15)7-5-11-16-12-6-10-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3/b7-5+,10-6+
InChIKeyVMOYDXOORQCUBY-YLNKAEQOSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-phenylmethoxypent-3-en-2-one
CID 11095410
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
1-[(E)-3-phenylprop-2-enoxy]propan-2-yl acetate
CID 59099845
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate
CID 146652816
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
CID 20693228
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
CID 70686302
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
1-(3-phenylprop-2-enoxy)propan-2-ol
CID 70377991

Frequently Asked Questions

What is the IUPAC name of (E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one?
The IUPAC name of (E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one (CID 11310468) is (E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one.
What is the SMILES notation for (E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one?
The canonical SMILES for (E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one is CC(=O)/C=C/COC/C=C/c1ccccc1.
What is the InChIKey of (E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one?
The InChIKey is VMOYDXOORQCUBY-YLNKAEQOSA-N. The full InChI is InChI=1S/C14H16O2/c1-13(15)7-5-11-16-12-6-10-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3/b7-5+,10-6+.
What are the key properties of (E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one?
(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one is sourced from PubChem (CID 11310468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).