Home > Compound List > Compound details
19490-92-7 molecular structure
click picture or here to close

1-phenyl-1-(pyridin-2-yl)ethan-1-ol

ChemBase ID: 176645
Molecular Formular: C13H13NO
Molecular Mass: 199.24842
Monoisotopic Mass: 199.09971404
SMILES and InChIs

SMILES:
c1cnc(cc1)C(c1ccccc1)(O)C
Canonical SMILES:
CC(c1ccccn1)(c1ccccc1)O
InChI:
InChI=1S/C13H13NO/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12/h2-10,15H,1H3
InChIKey:
JZSWVCNVNOZMFN-UHFFFAOYSA-N

Cite this record

CBID:176645 http://www.chembase.cn/molecule-176645.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenyl-1-(pyridin-2-yl)ethan-1-ol
IUPAC Traditional name
1-phenyl-1-(pyridin-2-yl)ethanol
Synonyms
α-Methyl-α-phenyl-2-pyridinemethanol
α-Methyl-α-pyridylbenzyl Alcohol
NSC 28862
1-Phenyl-1-(2-pyridyl)ethanol
CAS Number
19490-92-7
PubChem SID
164232555
PubChem CID
86883

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P336675 external link Add to cart
PubChem 86883 external link
Data Source Data ID Price
TRC
P336675 external link Add to cart Please log in.
Data Source Data ID
PubChem 86883 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.976902  H Acceptors
H Donor LogD (pH = 5.5) 2.2824335 
LogD (pH = 7.4) 2.2999418  Log P 2.3001711 
Molar Refractivity 59.467 cm3 Polarizability 23.334692 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Apperance
Orange Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P336675 external link
Doxylamine intermediate.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Rennison, D., et al.: Bioorg. Med. Chem., 15, 2963 (2007)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle