Home > Compound List > Compound details
63049-37-6 molecular structure
click picture or here to close

2-methoxy-2-(naphthalen-2-yl)propanoic acid

ChemBase ID: 797709
Molecular Formular: C14H14O3
Molecular Mass: 230.25916
Monoisotopic Mass: 230.09429431
SMILES and InChIs

SMILES:
C(=O)(C(C)(c1ccc2c(cccc2)c1)OC)O
Canonical SMILES:
COC(c1ccc2c(c1)cccc2)(C(=O)O)C
InChI:
InChI=1S/C14H14O3/c1-14(17-2,13(15)16)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3,(H,15,16)
InChIKey:
PATHKUFURGNLJU-UHFFFAOYSA-N

Cite this record

CBID:797709 http://www.chembase.cn/molecule-797709.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-2-(naphthalen-2-yl)propanoic acid
IUPAC Traditional name
2-methoxy-2-(naphthalen-2-yl)propanoic acid
Synonyms
2-Methoxy-2-naphthalen-2-yl-propionic acid
CAS Number
63049-37-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9638 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9638 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.091945  H Acceptors
H Donor LogD (pH = 5.5) 1.5397726 
LogD (pH = 7.4) -0.14278023  Log P 2.9612048 
Molar Refractivity 64.6185 cm3 Polarizability 26.399466 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle