(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one

C24H20O3 — CID 2007737

IUPAC(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
SMILESCCc1ccc(/C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)cc1
InChIInChI=1S/C24H20O3/c1-2-17-8-10-18(11-9-17)14-23-24(25)21-13-12-20(15-22(21)27-23)26-16-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3/b23-14+
InChIKeyCHBCJCJKJPKOOL-OEAKJJBVSA-N
MW356.42 g/mol
LogP5.44
Rot. Bonds5

About (2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one

(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one (PubChem CID 2007737) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
PubChem CID2007737
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
SMILESCCc1ccc(/C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)cc1
InChIInChI=1S/C24H20O3/c1-2-17-8-10-18(11-9-17)14-23-24(25)21-13-12-20(15-22(21)27-23)26-16-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3/b23-14+
InChIKeyCHBCJCJKJPKOOL-OEAKJJBVSA-N
XLogP5.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6532638
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methylphenyl)methoxy]-1-benzofuran-3-one
CID 2021193
6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 3974809
6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
CID 4244641
(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 6520363
6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one
CID 4522752
6-[(2,5-dimethylphenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
CID 3323511
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[[4-(diethylamino)phenyl]methylidene]-1-benzofuran-3-one
CID 95022154
(2E)-2-[(4-tert-butylphenyl)methylidene]-6-[(4-chlorophenyl)methoxy]-1-benzofuran-3-one
CID 2021123
2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5265515
6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 5265733
(2Z)-6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 6316690

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one?
The IUPAC name of (2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one (CID 2007737) is (2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one.
What is the SMILES notation for (2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one?
The canonical SMILES for (2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one is CCc1ccc(/C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)cc1.
What is the InChIKey of (2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one?
The InChIKey is CHBCJCJKJPKOOL-OEAKJJBVSA-N. The full InChI is InChI=1S/C24H20O3/c1-2-17-8-10-18(11-9-17)14-23-24(25)21-13-12-20(15-22(21)27-23)26-16-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3/b23-14+.
What are the key properties of (2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one?
(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one has a molecular weight of 356.42 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one is sourced from PubChem (CID 2007737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).