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20675-51-8 molecular structure
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2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromen-5-ol

ChemBase ID: 126375
Molecular Formular: C21H30O2
Molecular Mass: 314.4617
Monoisotopic Mass: 314.2245802
SMILES and InChIs

SMILES:
CCCCCc1cc2c(C=CC(O2)(C)CCC=C(C)C)c(c1)O
Canonical SMILES:
CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1)O
InChI:
InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

Cite this record

CBID:126375 http://www.chembase.cn/molecule-126375.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromen-5-ol
IUPAC Traditional name
cannabichromene
Synonyms
Cannabichromene
Cannabichromene
CAS Number
20675-51-8
PubChem SID
162220709
PubChem CID
30219
CHEMBL
422704
Chemspider ID
28064
Wikipedia Title
Cannabichromene

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
BioBioPha
BBP02093 Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.466671  H Acceptors
H Donor LogD (pH = 5.5) 6.5996213 
LogD (pH = 7.4) 6.5959816  Log P 6.599668 
Molar Refractivity 99.6031 cm3 Polarizability 38.057632 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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