6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one

C28H19ClO3 — CID 3538773

IUPAC6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccccc3Cl)ccc21
InChIInChI=1S/C28H19ClO3/c29-25-9-5-4-8-22(25)18-31-23-14-15-24-26(17-23)32-27(28(24)30)16-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-17H,18H2
InChIKeyFYKKVURRTAVQGP-UHFFFAOYSA-N
MW438.91 g/mol
LogP7.20
Rot. Bonds5

About 6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one

6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 3538773) has the molecular formula C28H19ClO3 and a molecular weight of 438.91 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
PubChem CID3538773
Molecular FormulaC28H19ClO3
Molecular Weight438.91 g/mol
Exact Mass438.10
IUPAC Name6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccccc3Cl)ccc21
InChIInChI=1S/C28H19ClO3/c29-25-9-5-4-8-22(25)18-31-23-14-15-24-26(17-23)32-27(28(24)30)16-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-17H,18H2
InChIKeyFYKKVURRTAVQGP-UHFFFAOYSA-N
XLogP7.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 57.20
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

2-[(4-bromophenyl)methylidene]-6-[(2-chlorophenyl)methoxy]-1-benzofuran-3-one
CID 3880430
6-[(2-chlorophenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
CID 4244641
(2E)-2-[(4-tert-butylphenyl)methylidene]-6-[(2-chlorophenyl)methoxy]-1-benzofuran-3-one
CID 2032890
6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 3974809
2-benzylidene-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265805
(2Z)-2-benzylidene-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 19261053
2-[(4-chlorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265807
2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5265515
(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 6520363
(2Z)-6-[(2,4-dichlorophenyl)methoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 19261054
2-[[3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetonitrile
CID 4861206
2-[(4-bromophenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 3904736

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one (CID 3538773) is 6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one is O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccccc3Cl)ccc21.
What is the InChIKey of 6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is FYKKVURRTAVQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClO3/c29-25-9-5-4-8-22(25)18-31-23-14-15-24-26(17-23)32-27(28(24)30)16-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-17H,18H2.
What are the key properties of 6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 438.91 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 3538773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).