7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione

C18H14O7 — CID 15118832

IUPAC7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione
SMILESCOc1cc2c(c3c1OCO3)C(=O)c1c(OC)cc(C)c(O)c1C2=O
InChIInChI=1S/C18H14O7/c1-7-4-9(22-2)12-13(14(7)19)15(20)8-5-10(23-3)17-18(25-6-24-17)11(8)16(12)21/h4-5,19H,6H2,1-3H3
InChIKeyGYMHJZVSDZYFMA-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.22
Rot. Bonds2

About 7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione

7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione (PubChem CID 15118832) has the molecular formula C18H14O7 and a molecular weight of 342.30 g/mol. Its IUPAC name is 7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione.

Molecular Properties

Compound Name7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione
PubChem CID15118832
Molecular FormulaC18H14O7
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Name7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione
SMILESCOc1cc2c(c3c1OCO3)C(=O)c1c(OC)cc(C)c(O)c1C2=O
InChIInChI=1S/C18H14O7/c1-7-4-9(22-2)12-13(14(7)19)15(20)8-5-10(23-3)17-18(25-6-24-17)11(8)16(12)21/h4-5,19H,6H2,1-3H3
InChIKeyGYMHJZVSDZYFMA-UHFFFAOYSA-N
XLogP2.22
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione
CID 163080913
2,8-dihydroxy-1-(7-hydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-6-methoxy-3-methylanthracene-9,10-dione
CID 71481936
4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one
CID 125039043
5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione
CID 137276863
16-hydroxy-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14,16,18-octaen-13-one
CID 135844959
2,8-dihydroxy-6-methoxy-3-methyl-1,5-bis(4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5H-anthracen-1-yl)anthracene-9,10-dione
CID 163092011
2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione
CID 122196300
12-butyl-8,16-dimethoxy-4,6,18,20-tetraoxa-12-azapentacyclo[12.7.0.02,10.03,7.017,21]henicosa-1(21),2,7,9,14,16-hexaen-11-one
CID 59053122
1,3-dihydroxy-6-methoxy-7-methylanthracene-9,10-dione
CID 162876842
8-methoxy-1,3-benzodioxin-4-one
CID 141355094
11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione
CID 14729074
methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
CID 175675443

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione?
The IUPAC name of 7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione (CID 15118832) is 7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione.
What is the SMILES notation for 7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione?
The canonical SMILES for 7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione is COc1cc2c(c3c1OCO3)C(=O)c1c(OC)cc(C)c(O)c1C2=O.
What is the InChIKey of 7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione?
The InChIKey is GYMHJZVSDZYFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O7/c1-7-4-9(22-2)12-13(14(7)19)15(20)8-5-10(23-3)17-18(25-6-24-17)11(8)16(12)21/h4-5,19H,6H2,1-3H3.
What are the key properties of 7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione?
7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione has a molecular weight of 342.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4,10-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione is sourced from PubChem (CID 15118832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).