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77301-42-9 molecular structure
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1-(6-methoxynaphthalen-2-yl)ethan-1-ol

ChemBase ID: 173065
Molecular Formular: C13H14O2
Molecular Mass: 202.24906
Monoisotopic Mass: 202.09937969
SMILES and InChIs

SMILES:
c1cc(cc2c1cc(cc2)C(C)O)OC
Canonical SMILES:
COc1ccc2c(c1)ccc(c2)C(O)C
InChI:
InChI=1S/C13H14O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-9,14H,1-2H3
InChIKey:
OUVJWFRUESFCCY-UHFFFAOYSA-N

Cite this record

CBID:173065 http://www.chembase.cn/molecule-173065.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(6-methoxynaphthalen-2-yl)ethan-1-ol
IUPAC Traditional name
1-(6-methoxynaphthalen-2-yl)ethanol
Synonyms
6-Methoxy-alpha-methyl-2-naphthalenemethanol
1-(6-Methoxy-2-naphthyl)ethanol
6-Methoxy-α-methyl-2-Naphthalenemethanol
(+/-)-1-(6-Methoxynaphthyl)ethanol
1-(6'-Methoxy-2-naphthyl)ethanol
2-(1-Hydroxyethyl)-6-methoxynaphthalene
α-(6-Methoxy-2-naphthyl)ethanol
Naproxen Impurity K
(1RS)-1-(6-Methoxy-2-naphthyl)ethanol (Naproxen Impurity K)
1-(6-methoxynaphthalen-2-yl)ethan-1-ol
1-(6-甲氧基-2-萘甲基)乙醇
CAS Number
77301-42-9
MDL Number
MFCD01632581
PubChem SID
164228975
PubChem CID
575523

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 575523 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.763382  H Acceptors
H Donor LogD (pH = 5.5) 2.4542766 
LogD (pH = 7.4) 2.4542766  Log P 2.4542766 
Molar Refractivity 60.2061 cm3 Polarizability 24.697914 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Apperance
Pale Yellow Solid expand Show data source
Melting Point
110 - 112°C expand Show data source
110-112°C expand Show data source
111-112°C expand Show data source
Hydrophobicity(logP)
2.506 expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M264740 external link
Naproxen impurity K.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Boynton, C., et al.: J. Clin. Pharmacol., 28, 512 (1988)
  • • Li, J., et al.: J. Med. Chem., 39, 1846 (1988)
  • • Monser, L., et al.: J. Pharm. Biomed. Anal., 27, 851 (1988)
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PATENTS

PATENTS

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INTERNET

INTERNET

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