6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one

C24H17FO4 — CID 5266143

IUPAC6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
SMILESCc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(F)cc4)ccc3C2=O)cc1
InChIInChI=1S/C24H17FO4/c1-15-2-4-16(5-3-15)12-23-24(27)20-11-10-19(13-22(20)29-23)28-14-21(26)17-6-8-18(25)9-7-17/h2-13H,14H2,1H3
InChIKeyQIEIJVZHIXKXMV-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.01
Rot. Bonds5

About 6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one

6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 5266143) has the molecular formula C24H17FO4 and a molecular weight of 388.39 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
PubChem CID5266143
Molecular FormulaC24H17FO4
Molecular Weight388.39 g/mol
Exact Mass388.11
IUPAC Name6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
SMILESCc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(F)cc4)ccc3C2=O)cc1
InChIInChI=1S/C24H17FO4/c1-15-2-4-16(5-3-15)12-23-24(27)20-11-10-19(13-22(20)29-23)28-14-21(26)17-6-8-18(25)9-7-17/h2-13H,14H2,1H3
InChIKeyQIEIJVZHIXKXMV-UHFFFAOYSA-N
XLogP5.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.01
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

6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 5266200
2-benzylidene-6-[2-(4-fluorophenyl)-2-oxoethoxy]-1-benzofuran-3-one
CID 5266201
[2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate
CID 5264247
2-[(2-fluorophenyl)methylidene]-6-[2-(4-fluorophenyl)-2-oxoethoxy]-1-benzofuran-3-one
CID 5266178
(2Z)-6-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 19261166
(2Z)-2-[(4-ethoxyphenyl)methylidene]-6-[2-(4-methoxyphenyl)-2-oxoethoxy]-1-benzofuran-3-one
CID 19261170
2-[(4-ethoxyphenyl)methylidene]-6-phenacyloxy-1-benzofuran-3-one
CID 4711133
6-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
CID 3764476
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-3-one
CID 5266210
methyl 4-[(Z)-[6-[2-(4-bromophenyl)-2-oxoethoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
CID 19261163
(2Z)-6-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one
CID 6220443
2-[(2,4-dichlorophenyl)methylidene]-6-[2-(4-fluorophenyl)-2-oxoethoxy]-1-benzofuran-3-one
CID 5266176

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one (CID 5266143) is 6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one is Cc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(F)cc4)ccc3C2=O)cc1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is QIEIJVZHIXKXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FO4/c1-15-2-4-16(5-3-15)12-23-24(27)20-11-10-19(13-22(20)29-23)28-14-21(26)17-6-8-18(25)9-7-17/h2-13H,14H2,1H3.
What are the key properties of 6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 388.39 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-2-oxoethoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 5266143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).