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

C24H20O5 — CID 2174504

IUPAC5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione
SMILESCCOc1ccc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)c2ccccc12
InChIInChI=1S/C24H20O5/c1-3-27-21-14-13-16(18-11-7-8-12-19(18)21)15-20-22(25)28-24(2,29-23(20)26)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3/b20-15-
InChIKeyLNVRIULQONJMEM-HKWRFOASSA-N
MW388.42 g/mol
LogP4.59
Rot. Bonds4

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

5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione (PubChem CID 2174504) has the molecular formula C24H20O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione
PubChem CID2174504
Molecular FormulaC24H20O5
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione
SMILESCCOc1ccc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)c2ccccc12
InChIInChI=1S/C24H20O5/c1-3-27-21-14-13-16(18-11-7-8-12-19(18)21)15-20-22(25)28-24(2,29-23(20)26)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3/b20-15-
InChIKeyLNVRIULQONJMEM-HKWRFOASSA-N
XLogP4.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
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

5-[(5-chloro-2-ethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600129
3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one
CID 964278
(5E)-1-(3,5-dimethylphenyl)-5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126021100
5-[(3-ethoxy-2,4-difluorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598355
2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione
CID 2733006
5-[(2,3-dibromo-4-butoxy-5-ethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599377
(3E)-6-chloro-3-[[4-(2-methoxyethoxy)naphthalen-1-yl]methylidene]-1H-indol-2-one
CID 21370152
5-[(2-bromo-5-ethoxy-4-propoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599401
(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one
CID 11602565
5-[[2-(2-hydroxyethoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600128
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 46499254
5-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598848

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione (CID 2174504) is 5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione is CCOc1ccc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)c2ccccc12.
What is the InChIKey of 5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione?
The InChIKey is LNVRIULQONJMEM-HKWRFOASSA-N. The full InChI is InChI=1S/C24H20O5/c1-3-27-21-14-13-16(18-11-7-8-12-19(18)21)15-20-22(25)28-24(2,29-23(20)26)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3/b20-15-.
What are the key properties of 5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione?
5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione has a molecular weight of 388.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxynaphthalen-1-yl)methylidene]-2-methyl-2-phenyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 2174504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).