(2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one

C17H13FO3 — CID 2015838

IUPAC(2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
SMILESCCOc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O
InChIInChI=1S/C17H13FO3/c1-2-20-13-6-7-14-15(10-13)21-16(17(14)19)9-11-4-3-5-12(18)8-11/h3-10H,2H2,1H3/b16-9-
InChIKeyPCJMPLHPLRGZTI-SXGWCWSVSA-N
MW284.29 g/mol
LogP3.84
Rot. Bonds3

About (2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one

(2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one (PubChem CID 2015838) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is (2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
PubChem CID2015838
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name(2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
SMILESCCOc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O
InChIInChI=1S/C17H13FO3/c1-2-20-13-6-7-14-15(10-13)21-16(17(14)19)9-11-4-3-5-12(18)8-11/h3-10H,2H2,1H3/b16-9-
InChIKeyPCJMPLHPLRGZTI-SXGWCWSVSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.84
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-[(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
(2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6220541
2-[[(2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
CID 6532601
[(2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] propanoate
CID 2018369
[2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
CID 4729614
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 2019420
(2E)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 2022185
[(2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate
CID 2027965
[3-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] benzoate
CID 18835867
benzyl 2-[[2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 3768846
methyl (2R)-2-[[(2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 5423730

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one (CID 2015838) is (2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one is CCOc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O.
What is the InChIKey of (2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is PCJMPLHPLRGZTI-SXGWCWSVSA-N. The full InChI is InChI=1S/C17H13FO3/c1-2-20-13-6-7-14-15(10-13)21-16(17(14)19)9-11-4-3-5-12(18)8-11/h3-10H,2H2,1H3/b16-9-.
What are the key properties of (2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one?
(2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 284.29 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 2015838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).