Home > Compound List > Compound details
26159-35-3 molecular structure
click picture or here to close

methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

ChemBase ID: 174993
Molecular Formular: C15H16O3
Molecular Mass: 244.28574
Monoisotopic Mass: 244.10994437
SMILES and InChIs

SMILES:
c1cc(cc2c1cc(cc2)[C@@H](C(=O)OC)C)OC
Canonical SMILES:
COC(=O)[C@H](c1ccc2c(c1)ccc(c2)OC)C
InChI:
InChI=1S/C15H16O3/c1-10(15(16)18-3)11-4-5-13-9-14(17-2)7-6-12(13)8-11/h4-10H,1-3H3/t10-/m0/s1
InChIKey:
ZFYFBPCRUQZGJE-JTQLQIEISA-N

Cite this record

CBID:174993 http://www.chembase.cn/molecule-174993.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
IUPAC Traditional name
methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Synonyms
(αS)-6-Methoxy-α-methyl-2-naphthaleneacetic Acid Methyl Ester
(S)-6-Methoxy-α-methyl-2-naphthaleneacetic Acid Methyl Ester
(+)-Naproxen Methyl Ester
(S)-Naproxen Methyl Ester
Methyl (S)-2-(6-Methoxynaphthalen-2-yl)propanoate
Naproxen Methyl Ester
(S)-Naproxen Methyl Ester
CAS Number
26159-35-3
PubChem SID
164230903
PubChem CID
9899603

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N377550 external link Add to cart
PubChem 9899603 external link
Data Source Data ID Price
TRC
N377550 external link Add to cart Please log in.
Data Source Data ID
PubChem 9899603 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.13168  LogD (pH = 7.4) 3.13168 
Log P 3.13168  Molar Refractivity 69.6226 cm3
Polarizability 28.49292 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N377550 external link
Naproxen (N377520) methyl derivative. Naproxen impurity.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Haddock, R., et al.: Xenobiotica, 14, 327 (1984)
  • • Jeremy, J., et al.: Drugs, 40, 53 (1984)
  • • Wadhwa, L., et al.: Int. J. Pharm., 118, 31 (1984)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle