methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate

C13H14O4 — CID 23248867

IUPACmethyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate
SMILESCOC(=O)/C=C1/OC(C)(OC)c2ccccc21
InChIInChI=1S/C13H14O4/c1-13(16-3)10-7-5-4-6-9(10)11(17-13)8-12(14)15-2/h4-8H,1-3H3/b11-8+
InChIKeyZGNRSFYERWKGBS-DHZHZOJOSA-N
MW234.25 g/mol
LogP2.05
Rot. Bonds2

About methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate

methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate (PubChem CID 23248867) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate
PubChem CID23248867
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Namemethyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate
SMILESCOC(=O)/C=C1/OC(C)(OC)c2ccccc21
InChIInChI=1S/C13H14O4/c1-13(16-3)10-7-5-4-6-9(10)11(17-13)8-12(14)15-2/h4-8H,1-3H3/b11-8+
InChIKeyZGNRSFYERWKGBS-DHZHZOJOSA-N
XLogP2.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
methyl 2-(11-acetylbenzo[c][1,5]benzoxazepin-6-ylidene)acetate
CID 152744484
ethane;9-methoxy-9-methylfluorene
CID 91285741
methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate
CID 71406787
methyl (2Z)-2-[(3S)-3-methyl-1-oxo-2,3-dihydroisoquinolin-4-ylidene]acetate
CID 101203831
2-methoxy-2-methyl-1-benzofuran-3-one
CID 13400306
methyl 2-[8-(trifluoromethyl)benzo[b][1,4]benzodioxepin-6-ylidene]acetate
CID 152762202
methyl (2Z)-2-(5,5-diphenyloxolan-2-ylidene)acetate
CID 10565723
9-methoxy-9-(2-methoxyphenyl)fluorene
CID 13256753
methyl 2-(6H-benzo[c][1]benzoxepin-11-ylidene)acetate
CID 139710128
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
CID 11367934

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate (CID 23248867) is methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate is COC(=O)/C=C1/OC(C)(OC)c2ccccc21.
What is the InChIKey of methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate?
The InChIKey is ZGNRSFYERWKGBS-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H14O4/c1-13(16-3)10-7-5-4-6-9(10)11(17-13)8-12(14)15-2/h4-8H,1-3H3/b11-8+.
What are the key properties of methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate?
methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate has a molecular weight of 234.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate is sourced from PubChem (CID 23248867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).