6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one

C24H16FNO3 — CID 3713832

IUPAC6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
SMILESO=C1C(=Cc2c[nH]c3ccccc23)Oc2cc(OCc3ccc(F)cc3)ccc21
InChIInChI=1S/C24H16FNO3/c25-17-7-5-15(6-8-17)14-28-18-9-10-20-22(12-18)29-23(24(20)27)11-16-13-26-21-4-2-1-3-19(16)21/h1-13,26H,14H2
InChIKeyLUSUNXSDAAUHSC-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.50
Rot. Bonds4

About 6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one

6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one (PubChem CID 3713832) has the molecular formula C24H16FNO3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
PubChem CID3713832
Molecular FormulaC24H16FNO3
Molecular Weight385.39 g/mol
Exact Mass385.11
IUPAC Name6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
SMILESO=C1C(=Cc2c[nH]c3ccccc23)Oc2cc(OCc3ccc(F)cc3)ccc21
InChIInChI=1S/C24H16FNO3/c25-17-7-5-15(6-8-17)14-28-18-9-10-20-22(12-18)29-23(24(20)27)11-16-13-26-21-4-2-1-3-19(16)21/h1-13,26H,14H2
InChIKeyLUSUNXSDAAUHSC-UHFFFAOYSA-N
XLogP5.50
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[(2-chloro-4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
CID 3787607
2-(1H-indol-3-ylmethylidene)-6-(2-methylprop-2-enoxy)-1-benzofuran-3-one
CID 3778988
(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 6520363
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
CID 3696610
6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 5265733
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 2005453
[2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate
CID 3712007
(2Z)-2-[(2-bromophenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 2018517
6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 69003793
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 19261037
(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one
CID 2027249
[2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 3-methoxybenzoate
CID 3601084

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one (CID 3713832) is 6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one is O=C1C(=Cc2c[nH]c3ccccc23)Oc2cc(OCc3ccc(F)cc3)ccc21.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one?
The InChIKey is LUSUNXSDAAUHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO3/c25-17-7-5-15(6-8-17)14-28-18-9-10-20-22(12-18)29-23(24(20)27)11-16-13-26-21-4-2-1-3-19(16)21/h1-13,26H,14H2.
What are the key properties of 6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one?
6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one has a molecular weight of 385.39 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one is sourced from PubChem (CID 3713832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).