5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione

C17H12O5 — CID 4140403

IUPAC5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
SMILESO=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)cc1
InChIInChI=1S/C17H12O5/c18-13-8-6-11(7-9-13)10-14-15(19)21-17(22-16(14)20)12-4-2-1-3-5-12/h1-10,17-18H/b14-10-
InChIKeyGIRCTRDQRLZOGJ-UVTDQMKNSA-N
MW296.28 g/mol
LogP2.57
Rot. Bonds2

About 5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione

5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione (PubChem CID 4140403) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
PubChem CID4140403
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
SMILESO=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)cc1
InChIInChI=1S/C17H12O5/c18-13-8-6-11(7-9-13)10-14-15(19)21-17(22-16(14)20)12-4-2-1-3-5-12/h1-10,17-18H/b14-10-
InChIKeyGIRCTRDQRLZOGJ-UVTDQMKNSA-N
XLogP2.57
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione (CID 4140403) is 5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione is O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(O)cc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
The InChIKey is GIRCTRDQRLZOGJ-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H12O5/c18-13-8-6-11(7-9-13)10-14-15(19)21-17(22-16(14)20)12-4-2-1-3-5-12/h1-10,17-18H/b14-10-.
What are the key properties of 5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione has a molecular weight of 296.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 4140403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).