(3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one

C21H20O5 — CID 1109958

IUPAC(3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
SMILESCOc1ccc(C2=C/C(=C\c3ccc(C)c(OC)c3)C(=O)O2)c(OC)c1
InChIInChI=1S/C21H20O5/c1-13-5-6-14(10-18(13)24-3)9-15-11-20(26-21(15)22)17-8-7-16(23-2)12-19(17)25-4/h5-12H,1-4H3/b15-9+
InChIKeyGYEYTCDZXQIANS-OQLLNIDSSA-N
MW352.39 g/mol
LogP4.00
Rot. Bonds5

About (3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one

(3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one (PubChem CID 1109958) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is (3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
PubChem CID1109958
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name(3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
SMILESCOc1ccc(C2=C/C(=C\c3ccc(C)c(OC)c3)C(=O)O2)c(OC)c1
InChIInChI=1S/C21H20O5/c1-13-5-6-14(10-18(13)24-3)9-15-11-20(26-21(15)22)17-8-7-16(23-2)12-19(17)25-4/h5-12H,1-4H3/b15-9+
InChIKeyGYEYTCDZXQIANS-OQLLNIDSSA-N
XLogP4.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 750855
3-benzylidene-5-(2,4-dimethoxyphenyl)furan-2-one
CID 867776
(3Z)-3-[(3-bromophenyl)methylidene]-5-(2,4-dimethoxyphenyl)furan-2-one
CID 28564924
3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 3123618
(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one
CID 58237972
(3Z)-5-(4-bromophenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one
CID 2256990
(3E)-5-(2,4-dimethoxyphenyl)-3-(thiophen-2-ylmethylidene)furan-2-one
CID 6509321
(3E)-5-(2,5-dimethylphenyl)-3-[(3-methoxyphenyl)methylidene]furan-2-one
CID 126060625
3-[(3,4-dimethoxyphenyl)methylidene]-5-(3,4-dimethylphenyl)furan-2-one
CID 809096
(3E)-5-(2,5-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methylidene]furan-2-one
CID 2256976
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one
CID 20831433
(3E)-5-(2,4-dimethoxyphenyl)-3-[(2-nitrophenyl)methylidene]furan-2-one
CID 92911971

Frequently Asked Questions

What is the IUPAC name of (3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one?
The IUPAC name of (3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one (CID 1109958) is (3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one.
What is the SMILES notation for (3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one?
The canonical SMILES for (3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one is COc1ccc(C2=C/C(=C\c3ccc(C)c(OC)c3)C(=O)O2)c(OC)c1.
What is the InChIKey of (3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one?
The InChIKey is GYEYTCDZXQIANS-OQLLNIDSSA-N. The full InChI is InChI=1S/C21H20O5/c1-13-5-6-14(10-18(13)24-3)9-15-11-20(26-21(15)22)17-8-7-16(23-2)12-19(17)25-4/h5-12H,1-4H3/b15-9+.
What are the key properties of (3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one?
(3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one has a molecular weight of 352.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(2,4-dimethoxyphenyl)-3-[(3-methoxy-4-methylphenyl)methylidene]furan-2-one is sourced from PubChem (CID 1109958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).