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

C19H16O5 — CID 162651655

IUPAC5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
SMILESCc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)c(C)cc1O
InChIInChI=1S/C19H16O5/c1-11-9-16(20)12(2)8-14(11)10-15-17(21)23-19(24-18(15)22)13-6-4-3-5-7-13/h3-10,19-20H,1-2H3/b15-10-
InChIKeyPYJUAKFEEHTAJC-GDNBJRDFSA-N
MW324.33 g/mol
LogP3.19
Rot. Bonds2

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

5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione (PubChem CID 162651655) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
PubChem CID162651655
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
SMILESCc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)c(C)cc1O
InChIInChI=1S/C19H16O5/c1-11-9-16(20)12(2)8-14(11)10-15-17(21)23-19(24-18(15)22)13-6-4-3-5-7-13/h3-10,19-20H,1-2H3/b15-10-
InChIKeyPYJUAKFEEHTAJC-GDNBJRDFSA-N
XLogP3.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.19
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-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione (CID 162651655) is 5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione is Cc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)c(C)cc1O.
What is the InChIKey of 5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
The InChIKey is PYJUAKFEEHTAJC-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H16O5/c1-11-9-16(20)12(2)8-14(11)10-15-17(21)23-19(24-18(15)22)13-6-4-3-5-7-13/h3-10,19-20H,1-2H3/b15-10-.
What are the key properties of 5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione?
5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione has a molecular weight of 324.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-2,5-dimethylphenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 162651655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).