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MFCD00045575 molecular structure
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1,2,3,4-tetrahydronaphthalen-2-ol

ChemBase ID: 270627
Molecular Formular: C10H12O
Molecular Mass: 148.20168
Monoisotopic Mass: 148.088815
SMILES and InChIs

SMILES:
c12c(CCC(C1)O)cccc2
Canonical SMILES:
OC1CCc2c(C1)cccc2
InChI:
InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2
InChIKey:
JWQYZECMEPOAPF-UHFFFAOYSA-N

Cite this record

CBID:270627 http://www.chembase.cn/molecule-270627.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,3,4-tetrahydronaphthalen-2-ol
IUPAC Traditional name
1,2,3,4-tetrahydronaphthalen-2-ol
Synonyms
1,2,3,4-tetrahydronaphthalen-2-ol
MDL Number
MFCD00045575
PubChem SID
164326537
PubChem CID
10747

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69633 external link Add to cart Please log in.
Data Source Data ID
PubChem 10747 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.145922  H Acceptors
H Donor LogD (pH = 5.5) 2.0387814 
LogD (pH = 7.4) 2.0387814  Log P 2.0387814 
Molar Refractivity 45.2097 cm3 Polarizability 17.437263 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
16 - 18°C expand Show data source
Hydrophobicity(logP)
1.777 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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