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

C17H10F2O5 — CID 146281802

IUPAC5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
SMILESO=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C17H10F2O5/c18-12-7-9(8-13(19)14(12)20)6-11-15(21)23-17(24-16(11)22)10-4-2-1-3-5-10/h1-8,17,20H/b11-6-
InChIKeyKPYPYFCCJXRXPM-WDZFZDKYSA-N
MW332.26 g/mol
LogP2.85
Rot. Bonds2

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

5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione (PubChem CID 146281802) has the molecular formula C17H10F2O5 and a molecular weight of 332.26 g/mol. Its IUPAC name is 5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
PubChem CID146281802
Molecular FormulaC17H10F2O5
Molecular Weight332.26 g/mol
Exact Mass332.05
IUPAC Name5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
SMILESO=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C17H10F2O5/c18-12-7-9(8-13(19)14(12)20)6-11-15(21)23-17(24-16(11)22)10-4-2-1-3-5-10/h1-8,17,20H/b11-6-
InChIKeyKPYPYFCCJXRXPM-WDZFZDKYSA-N
XLogP2.85
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.85
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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Related Compounds

CID 146281800
CID 146281800
CID 705436
CID 705436
CID 4140403
CID 4140403
CID 146281799
CID 146281799
CID 146281805
CID 146281805
CID 370541
CID 370541
CID 162649147
CID 162649147
CID 162654582
CID 162654582
CID 162660103
CID 162660103
CID 162675270
CID 162675270
CID 162676261
CID 162676261
CID 1507658
CID 1507658

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione (CID 146281802) is 5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione is O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(F)c(O)c(F)c1.
What is the InChIKey of 5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
The InChIKey is KPYPYFCCJXRXPM-WDZFZDKYSA-N. The full InChI is InChI=1S/C17H10F2O5/c18-12-7-9(8-13(19)14(12)20)6-11-15(21)23-17(24-16(11)22)10-4-2-1-3-5-10/h1-8,17,20H/b11-6-.
What are the key properties of 5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione has a molecular weight of 332.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 146281802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).