NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
6-(benzyloxy)-5-methoxy-2,3-dihydro-1H-inden-1-one
|
|
|
IUPAC Traditional name
|
6-(benzyloxy)-5-methoxy-2,3-dihydroinden-1-one
|
|
|
Synonyms
|
2,3-Dihydro-5-methoxy-6-(phenylmethoxy)-1H-inden-1-one
|
6-(Benzyloxy)-5-methoxyindan-1-one
|
NSC 80581
|
6-Benzyloxy-5-methoxy-1-indanone
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
|
Data ID
|
Price
|
TRC
|
|
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
16.258516
|
H Acceptors
|
3
|
H Donor
|
0
|
LogD (pH = 5.5)
|
3.2456865
|
LogD (pH = 7.4)
|
3.2456865
|
Log P
|
3.2456865
|
Molar Refractivity
|
77.2647 cm3
|
Polarizability
|
29.7986 Å3
|
Polar Surface Area
|
35.53 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent