(2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one

C23H17FO4 — CID 6220541

IUPAC(2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
SMILESCOc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1
InChIInChI=1S/C23H17FO4/c1-26-18-7-5-15(6-8-18)14-27-19-9-10-20-21(13-19)28-22(23(20)25)12-16-3-2-4-17(24)11-16/h2-13H,14H2,1H3/b22-12-
InChIKeyVSBNAJZDJIORMW-UUYOSTAYSA-N
MW376.38 g/mol
LogP5.03
Rot. Bonds5

About (2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one

(2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one (PubChem CID 6220541) has the molecular formula C23H17FO4 and a molecular weight of 376.38 g/mol. Its IUPAC name is (2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
PubChem CID6220541
Molecular FormulaC23H17FO4
Molecular Weight376.38 g/mol
Exact Mass376.11
IUPAC Name(2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
SMILESCOc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1
InChIInChI=1S/C23H17FO4/c1-26-18-7-5-15(6-8-18)14-27-19-9-10-20-21(13-19)28-22(23(20)25)12-16-3-2-4-17(24)11-16/h2-13H,14H2,1H3/b22-12-
InChIKeyVSBNAJZDJIORMW-UUYOSTAYSA-N
XLogP5.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.38
LogP ≤ 55.03
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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Related Compounds

(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 2019420
2-[(3-bromophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 4861283
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6532638
(2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 2015838
6-[(4-bromophenyl)methoxy]-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3810008
2-[(3-chlorophenyl)methylidene]-6-[(3-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 4861252
(2E)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 2022185
(2Z)-6-[(4-methoxyphenyl)methoxy]-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one
CID 6317829
(2Z)-2-[(3-fluorophenyl)methylidene]-6-(3-methylbut-2-enoxy)-1-benzofuran-3-one
CID 2016141
2-[[2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetic acid
CID 4975050
benzyl 2-[[2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 3768846
(2Z)-6-[(4-bromophenyl)methoxy]-2-[(3-methylphenyl)methylidene]-1-benzofuran-3-one
CID 6532616

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one (CID 6220541) is (2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one is COc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(F)c2)C3=O)cc1.
What is the InChIKey of (2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one?
The InChIKey is VSBNAJZDJIORMW-UUYOSTAYSA-N. The full InChI is InChI=1S/C23H17FO4/c1-26-18-7-5-15(6-8-18)14-27-19-9-10-20-21(13-19)28-22(23(20)25)12-16-3-2-4-17(24)11-16/h2-13H,14H2,1H3/b22-12-.
What are the key properties of (2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one?
(2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one has a molecular weight of 376.38 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one is sourced from PubChem (CID 6220541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).