(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one

C19H18O6 — CID 10860799

IUPAC(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one
SMILESCOc1cc(OC)c2c(c1)/C(=C/c1ccc(OC)c(OC)c1)OC2=O
InChIInChI=1S/C19H18O6/c1-21-12-9-13-15(25-19(20)18(13)17(10-12)24-4)7-11-5-6-14(22-2)16(8-11)23-3/h5-10H,1-4H3/b15-7-
InChIKeyJFHLBESKGOIDIT-CHHVJCJISA-N
MW342.35 g/mol
LogP3.39
Rot. Bonds5

About (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one (PubChem CID 10860799) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one
PubChem CID10860799
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one
SMILESCOc1cc(OC)c2c(c1)/C(=C/c1ccc(OC)c(OC)c1)OC2=O
InChIInChI=1S/C19H18O6/c1-21-12-9-13-15(25-19(20)18(13)17(10-12)24-4)7-11-5-6-14(22-2)16(8-11)23-3/h5-10H,1-4H3/b15-7-
InChIKeyJFHLBESKGOIDIT-CHHVJCJISA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one
CID 10382733
(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 11949446
2-[(3,4-dimethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5096301
(1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
CID 5393187
[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate
CID 2027424
[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzoate
CID 4311561
(9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene
CID 11315671
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,6-dimethoxy-3H-1-benzofuran-3-ol
CID 24805366
3-[(3,4-dimethoxyphenyl)methylidene]-5,5-dimethyloxolan-2-one
CID 54094400
2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 73150985
(3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
CID 1109958
[2-methoxy-4-[(E)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-dimethylcarbamate
CID 98384918

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one (CID 10860799) is (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one is COc1cc(OC)c2c(c1)/C(=C/c1ccc(OC)c(OC)c1)OC2=O.
What is the InChIKey of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one?
The InChIKey is JFHLBESKGOIDIT-CHHVJCJISA-N. The full InChI is InChI=1S/C19H18O6/c1-21-12-9-13-15(25-19(20)18(13)17(10-12)24-4)7-11-5-6-14(22-2)16(8-11)23-3/h5-10H,1-4H3/b15-7-.
What are the key properties of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one?
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one has a molecular weight of 342.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one is sourced from PubChem (CID 10860799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).