Home > Compound List > Compound details
103203-54-9 molecular structure
click picture or here to close

4-(2-methoxyphenoxy)benzoic acid

ChemBase ID: 76378
Molecular Formular: C14H12O4
Molecular Mass: 244.24268
Monoisotopic Mass: 244.07355886
SMILES and InChIs

SMILES:
O(c1ccccc1OC)c1ccc(cc1)C(=O)O
Canonical SMILES:
COc1ccccc1Oc1ccc(cc1)C(=O)O
InChI:
InChI=1S/C14H12O4/c1-17-12-4-2-3-5-13(12)18-11-8-6-10(7-9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey:
UYBHUZLSTOFTOG-UHFFFAOYSA-N

Cite this record

CBID:76378 http://www.chembase.cn/molecule-76378.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-methoxyphenoxy)benzoic acid
IUPAC Traditional name
4-(2-methoxyphenoxy)benzoic acid
Synonyms
2-(4-Carboxyphenoxy)anisole
4-(2-Methoxyphenoxy)benzoic acid
CAS Number
103203-54-9
MDL Number
MFCD01570262
PubChem SID
162041283
PubChem CID
618450

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR12951 external link Add to cart Please log in.
Data Source Data ID
PubChem 618450 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.292661  H Acceptors
H Donor LogD (pH = 5.5) 1.742029 
LogD (pH = 7.4) 0.0051199626  Log P 2.9734447 
Molar Refractivity 66.0182 cm3 Polarizability 25.502674 Å3
Polar Surface Area 55.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant 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