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942609-65-6 molecular structure
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2-hydroxy-1,5-dimethoxy-6-(methoxymethyl)-9,10-dihydroanthracene-9,10-dione

ChemBase ID: 305534
Molecular Formular: C18H16O6
Molecular Mass: 328.31604
Monoisotopic Mass: 328.09468823
SMILES and InChIs

SMILES:
c12c(ccc(c1OC)O)C(=O)c1c(C2=O)ccc(c1OC)COC
Canonical SMILES:
COCc1ccc2c(c1OC)C(=O)c1c(C2=O)c(OC)c(cc1)O
InChI:
InChI=1S/C18H16O6/c1-22-8-9-4-5-10-13(17(9)23-2)15(20)11-6-7-12(19)18(24-3)14(11)16(10)21/h4-7,19H,8H2,1-3H3
InChIKey:
HEVJQUHAJKODII-UHFFFAOYSA-N

Cite this record

CBID:305534 http://www.chembase.cn/molecule-305534.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-1,5-dimethoxy-6-(methoxymethyl)-9,10-dihydroanthracene-9,10-dione
IUPAC Traditional name
2-hydroxy-1,5-dimethoxy-6-(methoxymethyl)anthracene-9,10-dione
Synonyms
1,5,15-Tri-O-methylmorindol
CAS Number
942609-65-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02062
Data Source Data ID Price
BioBioPha
BBP02062 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.8526597  H Acceptors
H Donor LogD (pH = 5.5) 2.1736665 
LogD (pH = 7.4) 2.0456047  Log P 2.175575 
Molar Refractivity 87.6254 cm3 Polarizability 33.349186 Å3
Polar Surface Area 82.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Orange powder expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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