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1,2,3,4-tetrahydronaphthalen-1-ylmethanol
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ChemBase ID:
270713
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Molecular Formular:
C11H14O
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Molecular Mass:
162.22826
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Monoisotopic Mass:
162.10446507
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SMILES and InChIs
SMILES:
c12c(CCCC1CO)cccc2
Canonical SMILES:
OCC1CCCc2c1cccc2
InChI:
InChI=1S/C11H14O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10,12H,3,5-6,8H2
InChIKey:
LBARXHIIOCOWOG-UHFFFAOYSA-N
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Cite this record
CBID:270713 http://www.chembase.cn/molecule-270713.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,2,3,4-tetrahydronaphthalen-1-ylmethanol
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IUPAC Traditional name
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1,2,3,4-tetrahydronaphthalen-1-ylmethanol
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Synonyms
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1,2,3,4-tetrahydronaphthalen-1-ylmethanol
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MDL 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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15.384381
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H Acceptors
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1
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H Donor
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1
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LogD (pH = 5.5)
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2.3537943
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LogD (pH = 7.4)
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2.3537943
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Log P
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2.3537943
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Molar Refractivity
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49.9405 cm3
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Polarizability
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19.282267 Å3
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Polar Surface Area
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20.23 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Product Information
Bioassay(PubChem)
Hydrophobicity(logP)
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2.396
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Show
data source
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Purity
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95%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent