[4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate

C15H16O6 — CID 59903159

IUPAC[4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate
SMILESC=CCc1c(OC(C)=O)cc2c(c1OCOC)C(=O)CO2
InChIInChI=1S/C15H16O6/c1-4-5-10-12(21-9(2)16)6-13-14(11(17)7-19-13)15(10)20-8-18-3/h4,6H,1,5,7-8H2,2-3H3
InChIKeyWPZBUFKMPLOACC-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.90
Rot. Bonds6

About [4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate

[4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate (PubChem CID 59903159) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is [4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate.

Molecular Properties

Compound Name[4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate
PubChem CID59903159
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name[4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate
SMILESC=CCc1c(OC(C)=O)cc2c(c1OCOC)C(=O)CO2
InChIInChI=1S/C15H16O6/c1-4-5-10-12(21-9(2)16)6-13-14(11(17)7-19-13)15(10)20-8-18-3/h4,6H,1,5,7-8H2,2-3H3
InChIKeyWPZBUFKMPLOACC-UHFFFAOYSA-N
XLogP1.90
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3,4-diacetyloxy-5-methoxy-2-oxo-6-prop-2-enylchromen-7-yl) acetate
CID 175961298
methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate
CID 59560396
6-acetyl-5-[(Z)-but-2-enyl]-4-(methoxymethoxy)-1-benzofuran-3-one;6-acetyl-5-[(E)-but-2-enyl]-4-(methoxymethoxy)-1-benzofuran-3-one;6-acetyl-5-but-3-enyl-4-(methoxymethoxy)-1-benzofuran-3-one;4-[6-acetyl-4-(methoxymethoxy)-3-oxo-1-benzofuran-5-yl]butyl acetate;6-acetyl-4-(methoxymethoxy)-5-(2-oxobutyl)-1-benzofuran-3-one;6-acetyl-4-(methoxymethoxy)-5-(3-phenylmethoxypropyl)-1-benzofuran-3-one;6-acetyl-4-(methoxymethoxy)-5-prop-2-enyl-1-benzofuran-3-one;methane;prop-2-enyl 2-[6-acetyl-4-(methoxymethoxy)-3-oxo-1-benzofuran-5-yl]acetate;prop-2-enyl 2-[6-acetyl-4-(methoxymethoxy)-3-oxo-1-benzofuran-5-yl]-2-methylpropanoate;nonahydrate
CID 160983136
1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone
CID 20590669
1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene
CID 86078751
(3-acetyloxy-5-ethenyl-2-ethylphenyl) acetate
CID 174350722
3-chloro-5-hydroxy-7-(methoxymethoxy)-6-prop-2-enylchromen-4-one
CID 24774549
7-(methoxymethoxy)-2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one
CID 53305493
(4,6-dimethyl-2-oxo-8-prop-2-enylchromen-7-yl) acetate
CID 13298923
[4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate
CID 174532407
(4-hydroxy-3-methyl-5-prop-2-enylphenyl) acetate
CID 165355215
[2-acetyloxy-5-prop-2-enyl-3-(4-prop-2-enylphenoxy)phenyl] acetate
CID 23259954

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate?
The IUPAC name of [4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate (CID 59903159) is [4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate.
What is the SMILES notation for [4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate?
The canonical SMILES for [4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate is C=CCc1c(OC(C)=O)cc2c(c1OCOC)C(=O)CO2.
What is the InChIKey of [4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate?
The InChIKey is WPZBUFKMPLOACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-4-5-10-12(21-9(2)16)6-13-14(11(17)7-19-13)15(10)20-8-18-3/h4,6H,1,5,7-8H2,2-3H3.
What are the key properties of [4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate?
[4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate has a molecular weight of 292.29 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethoxy)-3-oxo-5-prop-2-enyl-1-benzofuran-6-yl] acetate is sourced from PubChem (CID 59903159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).