(2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one

C19H18O6 — CID 10308825

IUPAC(2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc(/C=C2/Oc3c(cc(OC)c(OC)c3OC)C2=O)cc1
InChIInChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)9-14-16(20)13-10-15(22-2)18(23-3)19(24-4)17(13)25-14/h5-10H,1-4H3/b14-9+
InChIKeyZASPGTWURWBKOB-NTEUORMPSA-N
MW342.35 g/mol
LogP3.34
Rot. Bonds5

About (2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one

(2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 10308825) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is (2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID10308825
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name(2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc(/C=C2/Oc3c(cc(OC)c(OC)c3OC)C2=O)cc1
InChIInChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)9-14-16(20)13-10-15(22-2)18(23-3)19(24-4)17(13)25-14/h5-10H,1-4H3/b14-9+
InChIKeyZASPGTWURWBKOB-NTEUORMPSA-N
XLogP3.34
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(5-amino-2,4-dimethoxyphenyl)methylidene]-5,6,7-trimethoxy-1-benzofuran-3-one
CID 57391238
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
[2,6-dimethoxy-4-[(2E,9S)-2-[(4-methoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenyl] acetate
CID 99984054
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
6-(difluoromethoxy)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 171340855
[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 18836038
(2E,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991304
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
[(2Z)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate
CID 19260971
(2Z,9R)-9-(2-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99996616
[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate
CID 908051
[7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 2,6-dimethoxybenzoate
CID 4836530

Frequently Asked Questions

What is the IUPAC name of (2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one (CID 10308825) is (2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one is COc1ccc(/C=C2/Oc3c(cc(OC)c(OC)c3OC)C2=O)cc1.
What is the InChIKey of (2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is ZASPGTWURWBKOB-NTEUORMPSA-N. The full InChI is InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)9-14-16(20)13-10-15(22-2)18(23-3)19(24-4)17(13)25-14/h5-10H,1-4H3/b14-9+.
What are the key properties of (2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
(2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 342.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 10308825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).