methoxymethyl 9,10-dioxoanthracene-2-carboxylate

C17H12O5 — CID 20798432

IUPACmethoxymethyl 9,10-dioxoanthracene-2-carboxylate
SMILESCOCOC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H12O5/c1-21-9-22-17(20)10-6-7-13-14(8-10)16(19)12-5-3-2-4-11(12)15(13)18/h2-8H,9H2,1H3
InChIKeySBKVVSJLUKOGMM-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.22
Rot. Bonds3

About methoxymethyl 9,10-dioxoanthracene-2-carboxylate

methoxymethyl 9,10-dioxoanthracene-2-carboxylate (PubChem CID 20798432) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is methoxymethyl 9,10-dioxoanthracene-2-carboxylate.

Molecular Properties

Compound Namemethoxymethyl 9,10-dioxoanthracene-2-carboxylate
PubChem CID20798432
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Namemethoxymethyl 9,10-dioxoanthracene-2-carboxylate
SMILESCOCOC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H12O5/c1-21-9-22-17(20)10-6-7-13-14(8-10)16(19)12-5-3-2-4-11(12)15(13)18/h2-8H,9H2,1H3
InChIKeySBKVVSJLUKOGMM-UHFFFAOYSA-N
XLogP2.22
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

2-methylpropyl 9-oxofluorene-2-carboxylate
CID 24619322
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401
prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781
octyl 9,10-dioxoanthracene-2-carboxylate
CID 4522297
hexyl 9,10-dioxoanthracene-2-carboxylate
CID 19860034
undecyl 9,10-dioxoanthracene-2-carboxylate
CID 86120799
11-aminoundecyl 9,10-dioxoanthracene-2-carboxylate
CID 10047817
butan-2-yl 9,10-dioxoanthracene-2-carboxylate
CID 59414704
[4-[2-(9,10-dioxoanthracene-2-carbonyl)oxyethyl]phenyl]-triphenylboranuide
CID 140746310
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 43024245
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate
CID 24619325
methoxymethyl 4-hydroxybenzoate
CID 58114704

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 9,10-dioxoanthracene-2-carboxylate?
The IUPAC name of methoxymethyl 9,10-dioxoanthracene-2-carboxylate (CID 20798432) is methoxymethyl 9,10-dioxoanthracene-2-carboxylate.
What is the SMILES notation for methoxymethyl 9,10-dioxoanthracene-2-carboxylate?
The canonical SMILES for methoxymethyl 9,10-dioxoanthracene-2-carboxylate is COCOC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of methoxymethyl 9,10-dioxoanthracene-2-carboxylate?
The InChIKey is SBKVVSJLUKOGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5/c1-21-9-22-17(20)10-6-7-13-14(8-10)16(19)12-5-3-2-4-11(12)15(13)18/h2-8H,9H2,1H3.
What are the key properties of methoxymethyl 9,10-dioxoanthracene-2-carboxylate?
methoxymethyl 9,10-dioxoanthracene-2-carboxylate has a molecular weight of 296.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 9,10-dioxoanthracene-2-carboxylate is sourced from PubChem (CID 20798432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).