(3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one

C19H15BrO3 — CID 2256990

IUPAC(3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
SMILESCOc1cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)ccc1C
InChIInChI=1S/C19H15BrO3/c1-12-3-4-13(10-17(12)22-2)9-15-11-18(23-19(15)21)14-5-7-16(20)8-6-14/h3-11H,1-2H3/b15-9-
InChIKeyJRNKPDVUGVALOO-DHDCSXOGSA-N
MW371.23 g/mol
LogP4.75
Rot. Bonds3

About (3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one

(3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one (PubChem CID 2256990) has the molecular formula C19H15BrO3 and a molecular weight of 371.23 g/mol. Its IUPAC name is (3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
PubChem CID2256990
Molecular FormulaC19H15BrO3
Molecular Weight371.23 g/mol
Exact Mass370.02
IUPAC Name(3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
SMILESCOc1cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)ccc1C
InChIInChI=1S/C19H15BrO3/c1-12-3-4-13(10-17(12)22-2)9-15-11-18(23-19(15)21)14-5-7-16(20)8-6-14/h3-11H,1-2H3/b15-9-
InChIKeyJRNKPDVUGVALOO-DHDCSXOGSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

(3E)-3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 750855
3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123618
3-[(3,4-dimethoxyphenyl)methylidene]-5-(3,4-dimethylphenyl)furan-2-one
CID 809096
(3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
CID 1109958
(3Z)-5-(3,4-dimethylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 5441770
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 1111705
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(3E)-3-[(3,5-dibromo-4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 96843329
(3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 6034938
[2-bromo-4-[[5-(4-methylphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 1131442
5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one
CID 899734
3-[(2,5-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2860642

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one?
The IUPAC name of (3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one (CID 2256990) is (3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one.
What is the SMILES notation for (3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one?
The canonical SMILES for (3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one is COc1cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)ccc1C.
What is the InChIKey of (3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one?
The InChIKey is JRNKPDVUGVALOO-DHDCSXOGSA-N. The full InChI is InChI=1S/C19H15BrO3/c1-12-3-4-13(10-17(12)22-2)9-15-11-18(23-19(15)21)14-5-7-16(20)8-6-14/h3-11H,1-2H3/b15-9-.
What are the key properties of (3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one?
(3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one has a molecular weight of 371.23 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one is sourced from PubChem (CID 2256990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).