Home > Compound List > Compound details
64052-90-0 molecular structure
click picture or here to close

(1s,4r)-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-4,7'-diol

ChemBase ID: 305677
Molecular Formular: C15H20O3
Molecular Mass: 248.3175
Monoisotopic Mass: 248.1412445
SMILES and InChIs

SMILES:
c1c(cc2c(c1O)[C@]1(CC2)CC[C@@H](CC1)O)OC
Canonical SMILES:
COc1cc(O)c2c(c1)CC[C@@]12CC[C@@H](CC1)O
InChI:
InChI=1S/C15H20O3/c1-18-12-8-10-2-5-15(14(10)13(17)9-12)6-3-11(16)4-7-15/h8-9,11,16-17H,2-7H2,1H3/t11-,15+
InChIKey:
ZFFYHYZOCYEEPL-WGRBQBNCSA-N

Cite this record

CBID:305677 http://www.chembase.cn/molecule-305677.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1s,4r)-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-4,7'-diol
IUPAC Traditional name
(1s,4r)-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-4,7'-diol
Synonyms
β-Cannabispiranol
Cannabispirol
CAS Number
64052-90-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02251
Data Source Data ID Price
BioBioPha
BBP02251 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.1082  H Acceptors
H Donor LogD (pH = 5.5) 2.5900118 
LogD (pH = 7.4) 2.589178  Log P 2.5900226 
Molar Refractivity 70.0773 cm3 Polarizability 27.187614 Å3
Polar Surface Area 49.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Powder expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle