(2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one

C17H14O4 — CID 902184

IUPAC(2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccccc1/C=C1\Oc2cccc(OC)c2C1=O
InChIInChI=1S/C17H14O4/c1-19-12-7-4-3-6-11(12)10-15-17(18)16-13(20-2)8-5-9-14(16)21-15/h3-10H,1-2H3/b15-10-
InChIKeyXULPMHAKCKFQTP-GDNBJRDFSA-N
MW282.30 g/mol
LogP3.32
Rot. Bonds3

About (2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one

(2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 902184) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID902184
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name(2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccccc1/C=C1\Oc2cccc(OC)c2C1=O
InChIInChI=1S/C17H14O4/c1-19-12-7-4-3-6-11(12)10-15-17(18)16-13(20-2)8-5-9-14(16)21-15/h3-10H,1-2H3/b15-10-
InChIKeyXULPMHAKCKFQTP-GDNBJRDFSA-N
XLogP3.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(1H-indol-3-ylmethylidene)-4-methoxy-1-benzofuran-3-one
CID 68557099
[(2Z)-2-[(2-methoxyphenyl)methylidene]-4-methyl-3-oxo-1-benzofuran-6-yl] 2-chloro-2-phenylacetate
CID 110274262
2-[[2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoic acid
CID 4967292
(2Z)-2-[(2-methoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 6316520
(2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 15965446
[2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3,4-dimethoxybenzoate
CID 4252855
(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one
CID 121461091
[(2Z)-2-[(2-methoxyphenyl)methylidene]-4-methyl-3-oxo-1-benzofuran-6-yl] oxolane-2-carboxylate
CID 110274864
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 19261037
(3E)-3-[(2-methoxyphenyl)methylidene]oxolane-2,5-dione
CID 82158591
(2Z,9S)-9-(2,4-dimethoxyphenyl)-2-[(2-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125123364
[(2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate
CID 6315635

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one (CID 902184) is (2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one is COc1ccccc1/C=C1\Oc2cccc(OC)c2C1=O.
What is the InChIKey of (2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is XULPMHAKCKFQTP-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-12-7-4-3-6-11(12)10-15-17(18)16-13(20-2)8-5-9-14(16)21-15/h3-10H,1-2H3/b15-10-.
What are the key properties of (2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 282.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methoxy-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 902184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).