5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione

C19H14O4 — CID 738080

IUPAC5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione
SMILESO=C1OC(c2ccccc2)OC(=O)C1=CC=Cc1ccccc1
InChIInChI=1S/C19H14O4/c20-17-16(13-7-10-14-8-3-1-4-9-14)18(21)23-19(22-17)15-11-5-2-6-12-15/h1-13,19H/b10-7?,16-13-
InChIKeyLGYJWRYIFAPBQE-VQDJSFHVSA-N
MW306.32 g/mol
LogP3.42
Rot. Bonds3

About 5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione

5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione (PubChem CID 738080) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione
PubChem CID738080
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione
SMILESO=C1OC(c2ccccc2)OC(=O)C1=CC=Cc1ccccc1
InChIInChI=1S/C19H14O4/c20-17-16(13-7-10-14-8-3-1-4-9-14)18(21)23-19(22-17)15-11-5-2-6-12-15/h1-13,19H/b10-7?,16-13-
InChIKeyLGYJWRYIFAPBQE-VQDJSFHVSA-N
XLogP3.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
CID 4140403
(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
2,5-dicinnamylidenecyclopentan-1-one
CID 2806566
(3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione
CID 14703519
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
(2E,7E)-2,7-bis[(Z)-3-phenylprop-2-enylidene]cycloheptan-1-one
CID 92533937
5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
CID 146281800
(1S,3E,5R)-3-[(E)-3-phenylprop-2-enylidene]-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 139204723
(3E)-4-benzylimino-3-[(E)-3-phenylprop-2-enylidene]oxolan-2-one
CID 11426650
(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one
CID 927453
(4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one
CID 6339121

Frequently Asked Questions

What is the IUPAC name of 5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione (CID 738080) is 5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione is O=C1OC(c2ccccc2)OC(=O)C1=CC=Cc1ccccc1.
What is the InChIKey of 5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione?
The InChIKey is LGYJWRYIFAPBQE-VQDJSFHVSA-N. The full InChI is InChI=1S/C19H14O4/c20-17-16(13-7-10-14-8-3-1-4-9-14)18(21)23-19(22-17)15-11-5-2-6-12-15/h1-13,19H/b10-7?,16-13-.
What are the key properties of 5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione?
5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione has a molecular weight of 306.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cinnamylidene-2-phenyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 738080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).