6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione

C20H14O4 — CID 72751782

IUPAC6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione
SMILESO=C1OC(=CC=Cc2ccccc2)C(O)=C(c2ccccc2)C1=O
InChIInChI=1S/C20H14O4/c21-18-16(13-7-10-14-8-3-1-4-9-14)24-20(23)19(22)17(18)15-11-5-2-6-12-15/h1-13,21H
InChIKeyNBHZCONCRROMFT-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.68
Rot. Bonds3

About 6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione

6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione (PubChem CID 72751782) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione.

Molecular Properties

Compound Name6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione
PubChem CID72751782
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione
SMILESO=C1OC(=CC=Cc2ccccc2)C(O)=C(c2ccccc2)C1=O
InChIInChI=1S/C20H14O4/c21-18-16(13-7-10-14-8-3-1-4-9-14)24-20(23)19(22)17(18)15-11-5-2-6-12-15/h1-13,21H
InChIKeyNBHZCONCRROMFT-UHFFFAOYSA-N
XLogP3.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one
CID 927453
(5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one
CID 919313
ethyl (5E)-2-methyl-4-oxo-5-[(Z)-3-phenylprop-2-enylidene]furan-3-carboxylate
CID 92528618
2,5-dicinnamylidenecyclopentan-1-one
CID 2806566
(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
(2E)-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 2032046
2-cinnamylidene-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 4885784
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
(3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione
CID 14703519
(4E)-4-cinnamylidene-2-hydroxy-5-methylcyclohexa-2,5-dien-1-one
CID 5358629
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602

Frequently Asked Questions

What is the IUPAC name of 6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione?
The IUPAC name of 6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione (CID 72751782) is 6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione.
What is the SMILES notation for 6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione?
The canonical SMILES for 6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione is O=C1OC(=CC=Cc2ccccc2)C(O)=C(c2ccccc2)C1=O.
What is the InChIKey of 6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione?
The InChIKey is NBHZCONCRROMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-18-16(13-7-10-14-8-3-1-4-9-14)24-20(23)19(22)17(18)15-11-5-2-6-12-15/h1-13,21H.
What are the key properties of 6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione?
6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione has a molecular weight of 318.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione is sourced from PubChem (CID 72751782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).