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

C17H13ClO4 — CID 25146735

IUPAC(2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
SMILESCOc1cc(OC)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O
InChIInChI=1S/C17H13ClO4/c1-20-11-8-13(21-2)16-14(9-11)22-15(17(16)19)7-10-5-3-4-6-12(10)18/h3-9H,1-2H3/b15-7-
InChIKeyWLUGJRADRCGNOP-CHHVJCJISA-N
MW316.74 g/mol
LogP3.97
Rot. Bonds3

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

(2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one (PubChem CID 25146735) has the molecular formula C17H13ClO4 and a molecular weight of 316.74 g/mol. Its IUPAC name is (2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
PubChem CID25146735
Molecular FormulaC17H13ClO4
Molecular Weight316.74 g/mol
Exact Mass316.05
IUPAC Name(2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
SMILESCOc1cc(OC)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O
InChIInChI=1S/C17H13ClO4/c1-20-11-8-13(21-2)16-14(9-11)22-15(17(16)19)7-10-5-3-4-6-12(10)18/h3-9H,1-2H3/b15-7-
InChIKeyWLUGJRADRCGNOP-CHHVJCJISA-N
XLogP3.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one (CID 25146735) is (2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one is COc1cc(OC)c2c(c1)O/C(=C\c1ccccc1Cl)C2=O.
What is the InChIKey of (2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The InChIKey is WLUGJRADRCGNOP-CHHVJCJISA-N. The full InChI is InChI=1S/C17H13ClO4/c1-20-11-8-13(21-2)16-14(9-11)22-15(17(16)19)7-10-5-3-4-6-12(10)18/h3-9H,1-2H3/b15-7-.
What are the key properties of (2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
(2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one has a molecular weight of 316.74 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-chlorophenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one is sourced from PubChem (CID 25146735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).