6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one

C24H18Cl2O4 — CID 5265863

IUPAC6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCCOc1ccccc1C=C1Oc2cc(OCc3ccc(Cl)cc3Cl)ccc2C1=O
InChIInChI=1S/C24H18Cl2O4/c1-2-28-21-6-4-3-5-15(21)11-23-24(27)19-10-9-18(13-22(19)30-23)29-14-16-7-8-17(25)12-20(16)26/h3-13H,2,14H2,1H3
InChIKeySGKXTISABOOFDZ-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.59
Rot. Bonds6

About 6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one

6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 5265863) has the molecular formula C24H18Cl2O4 and a molecular weight of 441.31 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID5265863
Molecular FormulaC24H18Cl2O4
Molecular Weight441.31 g/mol
Exact Mass440.06
IUPAC Name6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCCOc1ccccc1C=C1Oc2cc(OCc3ccc(Cl)cc3Cl)ccc2C1=O
InChIInChI=1S/C24H18Cl2O4/c1-2-28-21-6-4-3-5-15(21)11-23-24(27)19-10-9-18(13-22(19)30-23)29-14-16-7-8-17(25)12-20(16)26/h3-13H,2,14H2,1H3
InChIKeySGKXTISABOOFDZ-UHFFFAOYSA-N
XLogP6.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.59
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

2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5265512
6-[(2,4-dichlorophenyl)methoxy]-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3881463
2-[(3-chlorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 4861152
2-[(4-chlorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265807
6-[(2,4-dichlorophenyl)methoxy]-2-(furan-2-ylmethylidene)-1-benzofuran-3-one
CID 4301939
(2Z)-6-[(2,4-dichlorophenyl)methoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 19261054
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 19261037
2-[[2-[(2-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetonitrile
CID 5266365
2-[(2-chloro-6-fluorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265857
(2Z)-2-[(2-methoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 6316520
(2Z)-2-[(2-butoxyphenyl)methylidene]-5-chloro-1-benzofuran-3-one
CID 18823500
(2Z)-2-[(2,3-dichlorophenyl)methylidene]-6-[(2-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 6220422

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one (CID 5265863) is 6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one is CCOc1ccccc1C=C1Oc2cc(OCc3ccc(Cl)cc3Cl)ccc2C1=O.
What is the InChIKey of 6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is SGKXTISABOOFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2O4/c1-2-28-21-6-4-3-5-15(21)11-23-24(27)19-10-9-18(13-22(19)30-23)29-14-16-7-8-17(25)12-20(16)26/h3-13H,2,14H2,1H3.
What are the key properties of 6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one?
6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 441.31 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 5265863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).