NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,1-diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol
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IUPAC Traditional name
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1,1-diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol
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Synonyms
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alpha-Phenyl-alpha-[3-(1-pyrrolidinyl)-1-propynyl]benzenemethanol; 1,1-Diphenyl-4-(1-pyrrolidinyl)-2-butyn-1-ol; Azulone
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Butinoline
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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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11.839031
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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1.4137809
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LogD (pH = 7.4)
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3.1403835
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Log P
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3.6734712
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Molar Refractivity
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91.3708 cm3
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Polarizability
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35.01497 Å3
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Polar Surface Area
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23.47 Å2
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Rotatable Bonds
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5
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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
- • Kuhnert-Brandstaetter, M. et al., Sci. Pharm., 1974, 42, 150, (props)
- • Aparicio, L., Arch. Int. Pharmacodyn. Ther., 1977, 227, 130, (pharmacol)
- • Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 1345
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PATENTS
PATENTS
PubChem Patent
Google Patent