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

C24H16Cl2O3 — CID 4612897

IUPAC2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
SMILESO=C1C(=CC=Cc2ccccc2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C24H16Cl2O3/c25-20-12-9-17(13-21(20)26)15-28-18-10-11-19-23(14-18)29-22(24(19)27)8-4-7-16-5-2-1-3-6-16/h1-14H,15H2
InChIKeyMIQIZOLGODLBKJ-UHFFFAOYSA-N
MW423.30 g/mol
LogP6.74
Rot. Bonds5

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

2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one (PubChem CID 4612897) has the molecular formula C24H16Cl2O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
PubChem CID4612897
Molecular FormulaC24H16Cl2O3
Molecular Weight423.30 g/mol
Exact Mass422.05
IUPAC Name2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
SMILESO=C1C(=CC=Cc2ccccc2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C24H16Cl2O3/c25-20-12-9-17(13-21(20)26)15-28-18-10-11-19-23(14-18)29-22(24(19)27)8-4-7-16-5-2-1-3-6-16/h1-14H,15H2
InChIKeyMIQIZOLGODLBKJ-UHFFFAOYSA-N
XLogP6.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 56.74
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)-6-[(2-fluorophenyl)methoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one
CID 2025171
(2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
CID 2019431
(2E)-6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one
CID 2009356
6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 5265875
(2Z)-6-[(3-chlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methylidene]-1-benzofuran-3-one
CID 6220405
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 2005453
2-benzylidene-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265805
(2Z)-2-benzylidene-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 19261053
6-[(3-methoxyphenyl)methoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one
CID 4861266
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-nitrophenyl)methoxy]-1-benzofuran-3-one
CID 2017519
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 6519974
(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 2007737

Frequently Asked Questions

What is the IUPAC name of 2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one?
The IUPAC name of 2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one (CID 4612897) is 2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one.
What is the SMILES notation for 2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one?
The canonical SMILES for 2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one is O=C1C(=CC=Cc2ccccc2)Oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc21.
What is the InChIKey of 2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one?
The InChIKey is MIQIZOLGODLBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2O3/c25-20-12-9-17(13-21(20)26)15-28-18-10-11-19-23(14-18)29-22(24(19)27)8-4-7-16-5-2-1-3-6-16/h1-14H,15H2.
What are the key properties of 2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one?
2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one has a molecular weight of 423.30 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one is sourced from PubChem (CID 4612897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).