(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one

C23H18O4 — CID 1355944

IUPAC(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one
SMILESCOc1ccc(OC)c(/C=C2/C=C(c3cccc4ccccc34)OC2=O)c1
InChIInChI=1S/C23H18O4/c1-25-18-10-11-21(26-2)16(13-18)12-17-14-22(27-23(17)24)20-9-5-7-15-6-3-4-8-19(15)20/h3-14H,1-2H3/b17-12-
InChIKeyVYTZVCVJJXTBRZ-ATVHPVEESA-N
MW358.39 g/mol
LogP4.84
Rot. Bonds4

About (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one

(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one (PubChem CID 1355944) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one
PubChem CID1355944
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one
SMILESCOc1ccc(OC)c(/C=C2/C=C(c3cccc4ccccc34)OC2=O)c1
InChIInChI=1S/C23H18O4/c1-25-18-10-11-21(26-2)16(13-18)12-17-14-22(27-23(17)24)20-9-5-7-15-6-3-4-8-19(15)20/h3-14H,1-2H3/b17-12-
InChIKeyVYTZVCVJJXTBRZ-ATVHPVEESA-N
XLogP4.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one?
The IUPAC name of (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one (CID 1355944) is (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one.
What is the SMILES notation for (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one?
The canonical SMILES for (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one is COc1ccc(OC)c(/C=C2/C=C(c3cccc4ccccc34)OC2=O)c1.
What is the InChIKey of (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one?
The InChIKey is VYTZVCVJJXTBRZ-ATVHPVEESA-N. The full InChI is InChI=1S/C23H18O4/c1-25-18-10-11-21(26-2)16(13-18)12-17-14-22(27-23(17)24)20-9-5-7-15-6-3-4-8-19(15)20/h3-14H,1-2H3/b17-12-.
What are the key properties of (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one?
(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one has a molecular weight of 358.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-5-naphthalen-1-ylfuran-2-one is sourced from PubChem (CID 1355944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).