Home > Compound List > Compound details
325793-65-5 molecular structure
click picture or here to close

(2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoic acid

ChemBase ID: 800971
Molecular Formular: C11H14O4
Molecular Mass: 210.22646
Monoisotopic Mass: 210.08920893
SMILES and InChIs

SMILES:
C(=O)([C@H](Cc1ccc(cc1)O)OCC)O
Canonical SMILES:
CCO[C@H](C(=O)O)Cc1ccc(cc1)O
InChI:
InChI=1S/C11H14O4/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10,12H,2,7H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey:
FMJUDUJLTNVWCH-JTQLQIEISA-N

Cite this record

CBID:800971 http://www.chembase.cn/molecule-800971.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoic acid
IUPAC Traditional name
(2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoic acid
Synonyms
(S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid
CAS Number
325793-65-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17149 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17149 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7892535  H Acceptors
H Donor LogD (pH = 5.5) 0.16824825 
LogD (pH = 7.4) -1.3898047  Log P 1.8808659 
Molar Refractivity 54.9395 cm3 Polarizability 21.373425 Å3
Polar Surface Area 66.76 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