5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione

C24H18O6 — CID 633617

IUPAC5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
SMILESCOc1cccc2c1C(=O)C(C)=C(C1=C(C)C(=O)c3c(OC)cccc3C1=O)C2=O
InChIInChI=1S/C24H18O6/c1-11-17(23(27)13-7-5-9-15(29-3)19(13)21(11)25)18-12(2)22(26)20-14(24(18)28)8-6-10-16(20)30-4/h5-10H,1-4H3
InChIKeyDCNOBSXEJONEQM-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.80
Rot. Bonds3

About 5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione

5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione (PubChem CID 633617) has the molecular formula C24H18O6 and a molecular weight of 402.40 g/mol. Its IUPAC name is 5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione.

Molecular Properties

Compound Name5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
PubChem CID633617
Molecular FormulaC24H18O6
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
SMILESCOc1cccc2c1C(=O)C(C)=C(C1=C(C)C(=O)c3c(OC)cccc3C1=O)C2=O
InChIInChI=1S/C24H18O6/c1-11-17(23(27)13-7-5-9-15(29-3)19(13)21(11)25)18-12(2)22(26)20-14(24(18)28)8-6-10-16(20)30-4/h5-10H,1-4H3
InChIKeyDCNOBSXEJONEQM-UHFFFAOYSA-N
XLogP3.80
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-2-methyl-3-phenylinden-1-one
CID 101034748
1,5-dimethoxyfluoren-9-one
CID 19594782
dimethyl 5-methoxy-1,4-dioxonaphthalene-2,3-dicarboxylate
CID 10470278
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione
CID 85139008
1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
CID 90269328
2-bromo-3-(dimethylamino)-5-methoxynaphthalene-1,4-dione
CID 10425468
2-(2,6-dimethoxyphenyl)-3-naphthalen-1-ylnaphthalene-1,4-dione
CID 102377956
9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione
CID 164617601
(3S)-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
CID 102140355
5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 95931045
(2R)-5-methoxy-2-(3-methylbut-2-en-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 44584420

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione?
The IUPAC name of 5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione (CID 633617) is 5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione.
What is the SMILES notation for 5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione?
The canonical SMILES for 5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione is COc1cccc2c1C(=O)C(C)=C(C1=C(C)C(=O)c3c(OC)cccc3C1=O)C2=O.
What is the InChIKey of 5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione?
The InChIKey is DCNOBSXEJONEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6/c1-11-17(23(27)13-7-5-9-15(29-3)19(13)21(11)25)18-12(2)22(26)20-14(24(18)28)8-6-10-16(20)30-4/h5-10H,1-4H3.
What are the key properties of 5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione?
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione has a molecular weight of 402.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione is sourced from PubChem (CID 633617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).