Home > Compound List > Compound details
67139-38-2 molecular structure
click picture or here to close

2-(3-phenyl-1,2-oxazol-5-yl)phenol

ChemBase ID: 311222
Molecular Formular: C15H11NO2
Molecular Mass: 237.25334
Monoisotopic Mass: 237.0789786
SMILES and InChIs

SMILES:
c1(cc(no1)c1ccccc1)c1c(O)cccc1
Canonical SMILES:
Oc1ccccc1c1onc(c1)c1ccccc1
InChI:
InChI=1S/C15H11NO2/c17-14-9-5-4-8-12(14)15-10-13(16-18-15)11-6-2-1-3-7-11/h1-10,17H
InChIKey:
XWLIMTFPYMGWEB-UHFFFAOYSA-N

Cite this record

CBID:311222 http://www.chembase.cn/molecule-311222.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-phenyl-1,2-oxazol-5-yl)phenol
IUPAC Traditional name
2-(3-phenyl-1,2-oxazol-5-yl)phenol
Synonyms
2-(3-phenyl-5-isoxazolyl)phenol
CAS Number
67139-38-2
MDL Number
MFCD01820980

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5810970 external link Add to cart
Data Source Data ID Price
ChemBridge
5810970 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6342964  LogD (pH = 7.4) 3.6166396 
Log P 3.6345282  Molar Refractivity 69.2588 cm3
Polarizability 28.920677 Å3 Polar Surface Area 46.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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