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1447-87-6 molecular structure
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6-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol

ChemBase ID: 811984
Molecular Formular: C11H14O2
Molecular Mass: 178.22766
Monoisotopic Mass: 178.09937969
SMILES and InChIs

SMILES:
c1cc2c(cc1OC)CCC(C2)O
Canonical SMILES:
COc1ccc2c(c1)CCC(C2)O
InChI:
InChI=1S/C11H14O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7,10,12H,2,4,6H2,1H3
InChIKey:
HQYTZERMKCBGHG-UHFFFAOYSA-N

Cite this record

CBID:811984 http://www.chembase.cn/molecule-811984.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol
IUPAC Traditional name
6-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol
Synonyms
6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-OL
CAS Number
1447-87-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31655 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31655 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.164979  H Acceptors
H Donor LogD (pH = 5.5) 1.8811102 
LogD (pH = 7.4) 1.8811102  Log P 1.8811102 
Molar Refractivity 51.6729 cm3 Polarizability 19.942327 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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