Home Other Building Blocks 2-(Naphthalen-1-yl)phenol

2-(Naphthalen-1-yl)phenol

CAS No.:
101277-90-1
Catalog Number:
AG00044E
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$100
- +
1g
98%
In Stock USA
United States
$244
- +
5g
98%
In Stock USA
United States
$988
- +
Product Description
Catalog Number:
AG00044E
Chemical Name:
2-(Naphthalen-1-yl)phenol
CAS Number:
101277-90-1
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
MDL Number:
MFCD18312933
IUPAC Name:
2-naphthalen-1-ylphenol
InChI:
InChI=1S/C16H12O/c17-16-11-4-3-9-15(16)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,17H
InChI Key:
NTRXCTZXSALJEY-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1cccc2c1cccc2
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.089g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.271g/mol
Monoisotopic Mass:
220.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Hydroxybenzothiazoles as new nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1). PloS one 20120101
Structural basis for species specific inhibition of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1): computational study and biological validation. PloS one 20110101
Species used for drug testing reveal different inhibition susceptibility for 17beta-hydroxysteroid dehydrogenase type 1. PloS one 20100101
Insights in 17beta-HSD1 enzyme kinetics and ligand binding by dynamic motion investigation. PloS one 20100101
Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases. Journal of medicinal chemistry 20080410
Excited-state intramolecular proton transfer in o-hydroxybiaryls: a new route to dihydroaromatic compounds. Journal of the American Chemical Society 20030205
Properties