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16274-34-3 molecular structure
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2-(3-methylbut-2-en-1-yl)naphthalen-1-ol

ChemBase ID: 305269
Molecular Formular: C15H16O
Molecular Mass: 212.28694
Monoisotopic Mass: 212.12011513
SMILES and InChIs

SMILES:
c12c(c(c(cc1)CC=C(C)C)O)cccc2
Canonical SMILES:
CC(=CCc1ccc2c(c1O)cccc2)C
InChI:
InChI=1S/C15H16O/c1-11(2)7-8-13-10-9-12-5-3-4-6-14(12)15(13)16/h3-7,9-10,16H,8H2,1-2H3
InChIKey:
UEMWMIJHPZVYLT-UHFFFAOYSA-N

Cite this record

CBID:305269 http://www.chembase.cn/molecule-305269.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methylbut-2-en-1-yl)naphthalen-1-ol
IUPAC Traditional name
2-(3-methylbut-2-en-1-yl)naphthalen-1-ol
Synonyms
NPD
1-Hydroxy-2-prenylnaphthalene
CAS Number
16274-34-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01718
Data Source Data ID Price
BioBioPha
BBP01718 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.922326  H Acceptors
H Donor LogD (pH = 5.5) 4.3875613 
LogD (pH = 7.4) 4.3749537  Log P 4.3877244 
Molar Refractivity 68.7319 cm3 Polarizability 27.5515 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Yellow oil expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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