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

C23H16Cl2O4 — CID 6317826

IUPAC(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
SMILESCOc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1
InChIInChI=1S/C23H16Cl2O4/c1-27-17-6-2-14(3-7-17)13-28-18-8-9-19-21(12-18)29-22(23(19)26)10-15-4-5-16(24)11-20(15)25/h2-12H,13H2,1H3/b22-10-
InChIKeyPTWCWQYAMICHQV-YVNNLAQVSA-N
MW427.28 g/mol
LogP6.20
Rot. Bonds5

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

(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one (PubChem CID 6317826) has the molecular formula C23H16Cl2O4 and a molecular weight of 427.28 g/mol. Its IUPAC name is (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
PubChem CID6317826
Molecular FormulaC23H16Cl2O4
Molecular Weight427.28 g/mol
Exact Mass426.04
IUPAC Name(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
SMILESCOc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1
InChIInChI=1S/C23H16Cl2O4/c1-27-17-6-2-14(3-7-17)13-28-18-8-9-19-21(12-18)29-22(23(19)26)10-15-4-5-16(24)11-20(15)25/h2-12H,13H2,1H3/b22-10-
InChIKeyPTWCWQYAMICHQV-YVNNLAQVSA-N
XLogP6.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.28
LogP ≤ 56.20
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-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 19261037
methyl 2-[[2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 3572622
2-[(2,4-dichlorophenyl)methylidene]-6-(2-methylprop-2-enoxy)-1-benzofuran-3-one
CID 5265273
6-[(2,4-dichlorophenyl)methoxy]-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3881463
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6532638
6-[(3-chlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3691846
(2Z)-6-[(4-methoxyphenyl)methoxy]-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one
CID 6317829
ethyl 2-[[(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 6316303
propan-2-yl 2-[[2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 5266582
2-[[2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetohydrazide
CID 4973657
(2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 2025832
2-[(3-chlorophenyl)methylidene]-6-[(3-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 4861252

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one (CID 6317826) is (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one is COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1.
What is the InChIKey of (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one?
The InChIKey is PTWCWQYAMICHQV-YVNNLAQVSA-N. The full InChI is InChI=1S/C23H16Cl2O4/c1-27-17-6-2-14(3-7-17)13-28-18-8-9-19-21(12-18)29-22(23(19)26)10-15-4-5-16(24)11-20(15)25/h2-12H,13H2,1H3/b22-10-.
What are the key properties of (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one?
(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one has a molecular weight of 427.28 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one is sourced from PubChem (CID 6317826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).