(2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one

C17H14O4 — CID 642387

IUPAC(2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one
SMILESCOc1cc(OC)c2c(c1)O/C(=C\c1ccccc1)C2=O
InChIInChI=1S/C17H14O4/c1-19-12-9-13(20-2)16-14(10-12)21-15(17(16)18)8-11-6-4-3-5-7-11/h3-10H,1-2H3/b15-8-
InChIKeyURJIGAYOIPBIDO-NVNXTCNLSA-N
MW282.30 g/mol
LogP3.32
Rot. Bonds3

About (2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one

(2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one (PubChem CID 642387) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one
PubChem CID642387
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name(2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one
SMILESCOc1cc(OC)c2c(c1)O/C(=C\c1ccccc1)C2=O
InChIInChI=1S/C17H14O4/c1-19-12-9-13(20-2)16-14(10-12)21-15(17(16)18)8-11-6-4-3-5-7-11/h3-10H,1-2H3/b15-8-
InChIKeyURJIGAYOIPBIDO-NVNXTCNLSA-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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one (CID 642387) is (2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one is COc1cc(OC)c2c(c1)O/C(=C\c1ccccc1)C2=O.
What is the InChIKey of (2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one?
The InChIKey is URJIGAYOIPBIDO-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-12-9-13(20-2)16-14(10-12)21-15(17(16)18)8-11-6-4-3-5-7-11/h3-10H,1-2H3/b15-8-.
What are the key properties of (2Z)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one?
(2Z)-2-benzylidene-4,6-dimethoxy-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)-2-benzylidene-4,6-dimethoxy-1-benzofuran-3-one is sourced from PubChem (CID 642387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).