methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one

C19H20O3 — CID 157455661

IUPACmethane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
SMILESC.COc1cc(C)cc2c1C(=O)/C(=C/c1ccc(C)cc1)O2
InChIInChI=1S/C18H16O3.CH4/c1-11-4-6-13(7-5-11)10-16-18(19)17-14(20-3)8-12(2)9-15(17)21-16;/h4-10H,1-3H3;1H4/b16-10-;
InChIKeyBTICIJIQWTWCSM-HYMQDMCPSA-N
MW296.37 g/mol
LogP4.56
Rot. Bonds2

About methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one

methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 157455661) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Namemethane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
PubChem CID157455661
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namemethane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
SMILESC.COc1cc(C)cc2c1C(=O)/C(=C/c1ccc(C)cc1)O2
InChIInChI=1S/C18H16O3.CH4/c1-11-4-6-13(7-5-11)10-16-18(19)17-14(20-3)8-12(2)9-15(17)21-16;/h4-10H,1-3H3;1H4/b16-10-;
InChIKeyBTICIJIQWTWCSM-HYMQDMCPSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.56
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)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 11949446
2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 73150985
(2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 18823789
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one
CID 10382733
(2Z)-4,6-dimethoxy-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 15965446
5-chloro-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,6-dimethyl-1-benzofuran-3-one
CID 171131542
CID 66549416
CID 66549416
7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 141359336
7-methyl-2,4-bis[(2,3,4-trimethoxyphenyl)methylidene]-1,5-benzodioxepin-3-one
CID 123907746
(4Z,6Z)-2-methoxy-2-methyl-4,6-bis[(4-methylphenyl)methylidene]-1,3-dioxan-5-one
CID 132938400
(2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione
CID 51350863
7-bromo-4,6-dimethoxy-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one
CID 141359349

Frequently Asked Questions

What is the IUPAC name of methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one (CID 157455661) is methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one is C.COc1cc(C)cc2c1C(=O)/C(=C/c1ccc(C)cc1)O2.
What is the InChIKey of methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is BTICIJIQWTWCSM-HYMQDMCPSA-N. The full InChI is InChI=1S/C18H16O3.CH4/c1-11-4-6-13(7-5-11)10-16-18(19)17-14(20-3)8-12(2)9-15(17)21-16;/h4-10H,1-3H3;1H4/b16-10-;.
What are the key properties of methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one?
methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 296.37 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 157455661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).