(2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

C20H20O7 — CID 15965446

IUPAC(2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1cc(OC)c2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O
InChIInChI=1S/C20H20O7/c1-22-12-8-16(26-5)19-17(9-12)27-18(20(19)21)7-11-6-14(24-3)15(25-4)10-13(11)23-2/h6-10H,1-5H3/b18-7-
InChIKeyXYIIDRCLQVNYNO-WSVATBPTSA-N
MW372.37 g/mol
LogP3.35
Rot. Bonds6

About (2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

(2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 15965446) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is (2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID15965446
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name(2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1cc(OC)c2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O
InChIInChI=1S/C20H20O7/c1-22-12-8-16(26-5)19-17(9-12)27-18(20(19)21)7-11-6-14(24-3)15(25-4)10-13(11)23-2/h6-10H,1-5H3/b18-7-
InChIKeyXYIIDRCLQVNYNO-WSVATBPTSA-N
XLogP3.35
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 66549416
CID 66549416
(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 11949446
methyl 2-[[(2Z)-4-methyl-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]propanoate
CID 110275169
2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 73150985
[(2Z)-4-methyl-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate
CID 95397774
[(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] methanesulfonate
CID 2002858
[(2E)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 2,2-dimethylpropanoate
CID 2009795
6-(2-methylprop-2-enoxy)-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3830880
methyl (2S)-2-[[3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]propanoate
CID 7001734
(2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 902184
methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 157455661
[3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] cyclopropanecarboxylate
CID 3761439

Frequently Asked Questions

What is the IUPAC name of (2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one (CID 15965446) is (2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one is COc1cc(OC)c2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O.
What is the InChIKey of (2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is XYIIDRCLQVNYNO-WSVATBPTSA-N. The full InChI is InChI=1S/C20H20O7/c1-22-12-8-16(26-5)19-17(9-12)27-18(20(19)21)7-11-6-14(24-3)15(25-4)10-13(11)23-2/h6-10H,1-5H3/b18-7-.
What are the key properties of (2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 372.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 15965446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).