(3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one

C19H15BrO4 — CID 28564924

IUPAC(3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one
SMILESCOc1ccc(C2=C/C(=C/c3cccc(Br)c3)C(=O)O2)c(OC)c1
InChIInChI=1S/C19H15BrO4/c1-22-15-6-7-16(17(11-15)23-2)18-10-13(19(21)24-18)8-12-4-3-5-14(20)9-12/h3-11H,1-2H3/b13-8-
InChIKeyGBKPRXXZCOTHMJ-JYRVWZFOSA-N
MW387.23 g/mol
LogP4.45
Rot. Bonds4

About (3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one

(3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one (PubChem CID 28564924) has the molecular formula C19H15BrO4 and a molecular weight of 387.23 g/mol. Its IUPAC name is (3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one
PubChem CID28564924
Molecular FormulaC19H15BrO4
Molecular Weight387.23 g/mol
Exact Mass386.02
IUPAC Name(3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one
SMILESCOc1ccc(C2=C/C(=C/c3cccc(Br)c3)C(=O)O2)c(OC)c1
InChIInChI=1S/C19H15BrO4/c1-22-15-6-7-16(17(11-15)23-2)18-10-13(19(21)24-18)8-12-4-3-5-14(20)9-12/h3-11H,1-2H3/b13-8-
InChIKeyGBKPRXXZCOTHMJ-JYRVWZFOSA-N
XLogP4.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one?
The IUPAC name of (3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one (CID 28564924) is (3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one.
What is the SMILES notation for (3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one?
The canonical SMILES for (3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one is COc1ccc(C2=C/C(=C/c3cccc(Br)c3)C(=O)O2)c(OC)c1.
What is the InChIKey of (3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one?
The InChIKey is GBKPRXXZCOTHMJ-JYRVWZFOSA-N. The full InChI is InChI=1S/C19H15BrO4/c1-22-15-6-7-16(17(11-15)23-2)18-10-13(19(21)24-18)8-12-4-3-5-14(20)9-12/h3-11H,1-2H3/b13-8-.
What are the key properties of (3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one?
(3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one has a molecular weight of 387.23 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one is sourced from PubChem (CID 28564924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).