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

C23H16Cl2O3 — CID 2019431

IUPAC(2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
SMILESCc1ccccc1/C=C1\Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2C1=O
InChIInChI=1S/C23H16Cl2O3/c1-14-4-2-3-5-16(14)11-22-23(26)18-8-7-17(12-21(18)28-22)27-13-15-6-9-19(24)20(25)10-15/h2-12H,13H2,1H3/b22-11-
InChIKeySBRVRPHIPOZTDH-JJFYIABZSA-N
MW411.28 g/mol
LogP6.50
Rot. Bonds4

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

(2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 2019431) has the molecular formula C23H16Cl2O3 and a molecular weight of 411.28 g/mol. Its IUPAC name is (2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
PubChem CID2019431
Molecular FormulaC23H16Cl2O3
Molecular Weight411.28 g/mol
Exact Mass410.05
IUPAC Name(2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
SMILESCc1ccccc1/C=C1\Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2C1=O
InChIInChI=1S/C23H16Cl2O3/c1-14-4-2-3-5-16(14)11-22-23(26)18-8-7-17(12-21(18)28-22)27-13-15-6-9-19(24)20(25)10-15/h2-12H,13H2,1H3/b22-11-
InChIKeySBRVRPHIPOZTDH-JJFYIABZSA-N
XLogP6.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.28
LogP ≤ 56.50
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-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 6519974
6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 5265875
2-[(2-methylphenyl)methylidene]-6-(2-oxopropoxy)-1-benzofuran-3-one
CID 4973228
2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 4612897
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 19261037
6-(3-methylbut-2-enoxy)-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
CID 3446264
(2Z)-6-[(3-chlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methylidene]-1-benzofuran-3-one
CID 6220405
(2Z)-2-[(2-methoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 6316520
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 2005453
ethyl 2-[[2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 943301
(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6317826
2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5265512

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one (CID 2019431) is (2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one is Cc1ccccc1/C=C1\Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2C1=O.
What is the InChIKey of (2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is SBRVRPHIPOZTDH-JJFYIABZSA-N. The full InChI is InChI=1S/C23H16Cl2O3/c1-14-4-2-3-5-16(14)11-22-23(26)18-8-7-17(12-21(18)28-22)27-13-15-6-9-19(24)20(25)10-15/h2-12H,13H2,1H3/b22-11-.
What are the key properties of (2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 411.28 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 2019431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).