2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione

C16H12O6 — CID 177435085

IUPAC2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione
SMILESCOCOc1cccc2c1C(=O)C(=O)c1cc(C(C)=O)oc1-2
InChIInChI=1S/C16H12O6/c1-8(17)12-6-10-14(18)15(19)13-9(16(10)22-12)4-3-5-11(13)21-7-20-2/h3-6H,7H2,1-2H3
InChIKeyVEQFCCKLCIBKRM-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.51
Rot. Bonds4

About 2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione

2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione (PubChem CID 177435085) has the molecular formula C16H12O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Name2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione
PubChem CID177435085
Molecular FormulaC16H12O6
Molecular Weight300.27 g/mol
Exact Mass300.06
IUPAC Name2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione
SMILESCOCOc1cccc2c1C(=O)C(=O)c1cc(C(C)=O)oc1-2
InChIInChI=1S/C16H12O6/c1-8(17)12-6-10-14(18)15(19)13-9(16(10)22-12)4-3-5-11(13)21-7-20-2/h3-6H,7H2,1-2H3
InChIKeyVEQFCCKLCIBKRM-UHFFFAOYSA-N
XLogP2.51
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[5,8-bis(methoxymethoxy)-9,10-dioxoanthracen-2-yl]acetonitrile
CID 163493990
2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione
CID 142308043
2-acetylbenzo[f][1]benzofuran-4,9-dione;2-acetyl-3-(bromomethyl)benzo[f][1]benzofuran-4,9-dione
CID 159036694
3-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)-4-methylphenyl]-4-hydroxy-8-(methoxymethoxy)naphthalene-1,2-dione
CID 10791289
(1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one
CID 24828740
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxybenzaldehyde
CID 135029975
9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione
CID 164617601
3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde
CID 135012085
3-(1,3-dioxan-2-yl)-8-methoxy-1-(methoxymethoxy)anthracene-9,10-dione
CID 11047238
2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione
CID 14861205
[2-(methoxymethoxy)phenyl] methyl carbonate
CID 129163810

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione?
The IUPAC name of 2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione (CID 177435085) is 2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for 2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for 2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione is COCOc1cccc2c1C(=O)C(=O)c1cc(C(C)=O)oc1-2.
What is the InChIKey of 2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione?
The InChIKey is VEQFCCKLCIBKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O6/c1-8(17)12-6-10-14(18)15(19)13-9(16(10)22-12)4-3-5-11(13)21-7-20-2/h3-6H,7H2,1-2H3.
What are the key properties of 2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione?
2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione has a molecular weight of 300.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 177435085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).