1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene

C18H20O3 — CID 70261829

IUPAC1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene
SMILESC=COC=C.CC=CC(=O)c1ccccc1C(=O)C=CC
InChIInChI=1S/C14H14O2.C4H6O/c1-3-7-13(15)11-9-5-6-10-12(11)14(16)8-4-2;1-3-5-4-2/h3-10H,1-2H3;3-4H,1-2H2
InChIKeyVTBKJHSUQSZOFM-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.49
Rot. Bonds6

About 1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene

1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene (PubChem CID 70261829) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene.

Molecular Properties

Compound Name1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene
PubChem CID70261829
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene
SMILESC=COC=C.CC=CC(=O)c1ccccc1C(=O)C=CC
InChIInChI=1S/C14H14O2.C4H6O/c1-3-7-13(15)11-9-5-6-10-12(11)14(16)8-4-2;1-3-5-4-2/h3-10H,1-2H3;3-4H,1-2H2
InChIKeyVTBKJHSUQSZOFM-UHFFFAOYSA-N
XLogP4.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-chlorophenyl)but-2-en-1-one
CID 6158987
1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one
CID 151932005
1-(2,3-dimethylphenyl)but-2-en-1-one
CID 54274552
(Z)-1-(3-chloro-2-methylphenyl)but-2-en-1-one
CID 146568729
(E)-1-(3-chloro-2-hydroxyphenyl)but-2-en-1-one
CID 131238884
1-(3-fluoro-2-methylphenyl)but-2-en-1-one
CID 162367082
1-(2-pyridin-2-ylphenyl)but-2-en-1-one
CID 141062974
1-(2-chloro-3-pyridinyl)but-2-en-1-one
CID 78128433
2-penta-1,3-dien-2-ylphenol
CID 123148511
4-[(Z)-but-2-enoyl]naphthalene-1,8-dicarboxylic acid
CID 59967817
(E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one
CID 138456947
ethenoxyethene;phenylcarbamic acid
CID 159140981

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene?
The IUPAC name of 1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene (CID 70261829) is 1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene.
What is the SMILES notation for 1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene?
The canonical SMILES for 1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene is C=COC=C.CC=CC(=O)c1ccccc1C(=O)C=CC.
What is the InChIKey of 1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene?
The InChIKey is VTBKJHSUQSZOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.C4H6O/c1-3-7-13(15)11-9-5-6-10-12(11)14(16)8-4-2;1-3-5-4-2/h3-10H,1-2H3;3-4H,1-2H2.
What are the key properties of 1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene?
1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene has a molecular weight of 284.36 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-2-enoylphenyl)but-2-en-1-one;ethenoxyethene is sourced from PubChem (CID 70261829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).