NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[5-hydroxy-1-(4-methoxyphenyl)-2-methyl-1H-indol-3-yl]ethan-1-one
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IUPAC Traditional name
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1-[5-hydroxy-1-(4-methoxyphenyl)-2-methyl-1H-indol-3-yl]ethan-1-one
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Synonyms
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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9.103696
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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2.442192
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LogD (pH = 7.4)
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2.4338145
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Log P
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2.4423
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Molar Refractivity
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96.1347 cm3
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Polarizability
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34.45878 Å3
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Polar Surface Area
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51.46 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Grinev, A.N. et al., Zh. Obshch. Khim., 1961, 31, 2298; CA, 56, 4710, (synth)
- • Fr. Pat., 1967, M 5142; CA, 72, 66812, (synth, pharmacol)
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PATENTS
PATENTS
PubChem Patent
Google Patent