methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione

C17H16O6 — CID 87308714

IUPACmethoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione
SMILESCOC.O=C1c2ccccc2C(=O)c2c1cccc2C(O)(O)O
InChIInChI=1S/C15H10O5.C2H6O/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18,19)20;1-3-2/h1-7,18-20H;1-2H3
InChIKeyNDRRTUNKFRJPMK-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.81
Rot. Bonds1

About methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione

methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione (PubChem CID 87308714) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione.

Molecular Properties

Compound Namemethoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione
PubChem CID87308714
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Namemethoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione
SMILESCOC.O=C1c2ccccc2C(=O)c2c1cccc2C(O)(O)O
InChIInChI=1S/C15H10O5.C2H6O/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18,19)20;1-3-2/h1-7,18-20H;1-2H3
InChIKeyNDRRTUNKFRJPMK-UHFFFAOYSA-N
XLogP0.81
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione?
The IUPAC name of methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione (CID 87308714) is methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione.
What is the SMILES notation for methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione?
The canonical SMILES for methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione is COC.O=C1c2ccccc2C(=O)c2c1cccc2C(O)(O)O.
What is the InChIKey of methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione?
The InChIKey is NDRRTUNKFRJPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5.C2H6O/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18,19)20;1-3-2/h1-7,18-20H;1-2H3.
What are the key properties of methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione?
methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione has a molecular weight of 316.31 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;1-(trihydroxymethyl)anthracene-9,10-dione is sourced from PubChem (CID 87308714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).