5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione

C24H18O6 — CID 162656564

IUPAC5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione
SMILESCOc1cc(C)cc2c1C(=O)C(c1c(C)cc3c(c1OC)C(=O)C=CC3=O)=CC2=O
InChIInChI=1S/C24H18O6/c1-11-7-13-18(27)10-15(23(28)22(13)19(8-11)29-3)20-12(2)9-14-16(25)5-6-17(26)21(14)24(20)30-4/h5-10H,1-4H3
InChIKeyDKVRCJZTQSGKQJ-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.72
Rot. Bonds3

About 5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione

5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione (PubChem CID 162656564) has the molecular formula C24H18O6 and a molecular weight of 402.40 g/mol. Its IUPAC name is 5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione.

Molecular Properties

Compound Name5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione
PubChem CID162656564
Molecular FormulaC24H18O6
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione
SMILESCOc1cc(C)cc2c1C(=O)C(c1c(C)cc3c(c1OC)C(=O)C=CC3=O)=CC2=O
InChIInChI=1S/C24H18O6/c1-11-7-13-18(27)10-15(23(28)22(13)19(8-11)29-3)20-12(2)9-14-16(25)5-6-17(26)21(14)24(20)30-4/h5-10H,1-4H3
InChIKeyDKVRCJZTQSGKQJ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione?
The IUPAC name of 5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione (CID 162656564) is 5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione.
What is the SMILES notation for 5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione?
The canonical SMILES for 5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione is COc1cc(C)cc2c1C(=O)C(c1c(C)cc3c(c1OC)C(=O)C=CC3=O)=CC2=O.
What is the InChIKey of 5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione?
The InChIKey is DKVRCJZTQSGKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6/c1-11-7-13-18(27)10-15(23(28)22(13)19(8-11)29-3)20-12(2)9-14-16(25)5-6-17(26)21(14)24(20)30-4/h5-10H,1-4H3.
What are the key properties of 5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione?
5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione has a molecular weight of 402.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione is sourced from PubChem (CID 162656564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).