2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one

C21H22O4 — CID 73150985

IUPAC2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
SMILESCCCCc1ccc(C=C2Oc3cc(OC)cc(OC)c3C2=O)cc1
InChIInChI=1S/C21H22O4/c1-4-5-6-14-7-9-15(10-8-14)11-19-21(22)20-17(24-3)12-16(23-2)13-18(20)25-19/h7-13H,4-6H2,1-3H3
InChIKeyKVYRVXOPOWCJFY-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.66
Rot. Bonds6

About 2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one

2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one (PubChem CID 73150985) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
PubChem CID73150985
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
SMILESCCCCc1ccc(C=C2Oc3cc(OC)cc(OC)c3C2=O)cc1
InChIInChI=1S/C21H22O4/c1-4-5-6-14-7-9-15(10-8-14)11-19-21(22)20-17(24-3)12-16(23-2)13-18(20)25-19/h7-13H,4-6H2,1-3H3
InChIKeyKVYRVXOPOWCJFY-UHFFFAOYSA-N
XLogP4.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-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

(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 11949446
(2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 15965446
CID 66549416
CID 66549416
methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 157455661
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one
CID 10382733
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6532638
2-(4-butylphenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5233387
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one
CID 10860799
methyl 2-[[(2Z)-2-[(4-ethylphenyl)methylidene]-4-methyl-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 110275177
(2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one
CID 18823848
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
4,6-dihydroxy-2-[(4-propoxyphenyl)methylidene]-1-benzofuran-3-one
CID 91214712

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The IUPAC name of 2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one (CID 73150985) is 2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one.
What is the SMILES notation for 2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The canonical SMILES for 2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one is CCCCc1ccc(C=C2Oc3cc(OC)cc(OC)c3C2=O)cc1.
What is the InChIKey of 2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The InChIKey is KVYRVXOPOWCJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-4-5-6-14-7-9-15(10-8-14)11-19-21(22)20-17(24-3)12-16(23-2)13-18(20)25-19/h7-13H,4-6H2,1-3H3.
What are the key properties of 2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one has a molecular weight of 338.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one is sourced from PubChem (CID 73150985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).