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MFCD16857988 molecular structure
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1,2,3,4-tetrahydronaphthalen-1-ylmethanol

ChemBase ID: 270713
Molecular Formular: C11H14O
Molecular Mass: 162.22826
Monoisotopic Mass: 162.10446507
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

Cite this record

CBID:270713 http://www.chembase.cn/molecule-270713.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3,4-tetrahydronaphthalen-1-ylmethanol
IUPAC Traditional name
1,2,3,4-tetrahydronaphthalen-1-ylmethanol
Synonyms
1,2,3,4-tetrahydronaphthalen-1-ylmethanol
MDL Number
MFCD16857988
PubChem SID
164326623
PubChem CID
11062704

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69779 external link Add to cart Please log in.
Data Source Data ID
PubChem 11062704 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.384381  H Acceptors
H Donor LogD (pH = 5.5) 2.3537943 
LogD (pH = 7.4) 2.3537943  Log P 2.3537943 
Molar Refractivity 49.9405 cm3 Polarizability 19.282267 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.396 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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