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

C28H20O3 — CID 3974809

IUPAC6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C28H20O3/c29-28-25-16-15-24(30-19-21-7-3-1-4-8-21)18-26(25)31-27(28)17-20-11-13-23(14-12-20)22-9-5-2-6-10-22/h1-18H,19H2
InChIKeyHQCRMEALAJDZBU-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.55
Rot. Bonds5

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

6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 3974809) has the molecular formula C28H20O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
PubChem CID3974809
Molecular FormulaC28H20O3
Molecular Weight404.47 g/mol
Exact Mass404.14
IUPAC Name6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C28H20O3/c29-28-25-16-15-24(30-19-21-7-3-1-4-8-21)18-26(25)31-27(28)17-20-11-13-23(14-12-20)22-9-5-2-6-10-22/h1-18H,19H2
InChIKeyHQCRMEALAJDZBU-UHFFFAOYSA-N
XLogP6.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.55
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)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 6520363
(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 2007737
6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 3538773
2-[[3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetonitrile
CID 4861206
6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one
CID 4522752
[3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] 2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxylate
CID 4729641
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methylphenyl)methoxy]-1-benzofuran-3-one
CID 2021193
(2Z)-6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 6316690
(2Z)-6-[(3-chlorophenyl)methoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 19261025
(2Z)-2-[(2-bromophenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 2018517
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6532638
2-benzylidene-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265805

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one (CID 3974809) is 6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one is O=C1C(=Cc2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is HQCRMEALAJDZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O3/c29-28-25-16-15-24(30-19-21-7-3-1-4-8-21)18-26(25)31-27(28)17-20-11-13-23(14-12-20)22-9-5-2-6-10-22/h1-18H,19H2.
What are the key properties of 6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 404.47 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 3974809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).