(2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one

C24H17FO3 — CID 2025171

IUPAC(2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCc3ccccc3F)ccc21
InChIInChI=1S/C24H17FO3/c25-21-11-5-4-10-18(21)16-27-19-13-14-20-23(15-19)28-22(24(20)26)12-6-9-17-7-2-1-3-8-17/h1-15H,16H2/b9-6+,22-12-
InChIKeyUPVWPUVPBCUBNS-YEJNLHJGSA-N
MW372.40 g/mol
LogP5.58
Rot. Bonds5

About (2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one

(2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one (PubChem CID 2025171) has the molecular formula C24H17FO3 and a molecular weight of 372.40 g/mol. Its IUPAC name is (2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one
PubChem CID2025171
Molecular FormulaC24H17FO3
Molecular Weight372.40 g/mol
Exact Mass372.12
IUPAC Name(2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCc3ccccc3F)ccc21
InChIInChI=1S/C24H17FO3/c25-21-11-5-4-10-18(21)16-27-19-13-14-20-23(15-19)28-22(24(20)26)12-6-9-17-7-2-1-3-8-17/h1-15H,16H2/b9-6+,22-12-
InChIKeyUPVWPUVPBCUBNS-YEJNLHJGSA-N
XLogP5.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.58
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-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 4612897
2-[(2-bromophenyl)methylidene]-6-[(2-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 4551292
(2E)-6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one
CID 2009356
6-[(2-fluorophenyl)methoxy]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 1422839
(2Z)-2-[(2,3-dichlorophenyl)methylidene]-6-[(2-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 6220422
2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5265515
(2Z)-6-[(2-fluorophenyl)methoxy]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one
CID 6517815
2-[(2-fluorophenyl)methylidene]-6-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-benzofuran-3-one
CID 5266068
2-[(3-chlorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 4861152
(2Z)-6-[(2-methylphenyl)methoxy]-2-[(3-methylphenyl)methylidene]-1-benzofuran-3-one
CID 6532546
(2-cinnamylidene-3-oxo-1-benzofuran-6-yl) 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
CID 4729628
(2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 19261098

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one (CID 2025171) is (2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one is O=C1/C(=C/C=C/c2ccccc2)Oc2cc(OCc3ccccc3F)ccc21.
What is the InChIKey of (2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one?
The InChIKey is UPVWPUVPBCUBNS-YEJNLHJGSA-N. The full InChI is InChI=1S/C24H17FO3/c25-21-11-5-4-10-18(21)16-27-19-13-14-20-23(15-19)28-22(24(20)26)12-6-9-17-7-2-1-3-8-17/h1-15H,16H2/b9-6+,22-12-.
What are the key properties of (2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one?
(2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one has a molecular weight of 372.40 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one is sourced from PubChem (CID 2025171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).