CAS 101277-90-1 | Phenol, 2-(1-naphthalenyl)- | CAS Number 101277-90-1

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101277-90-1 | Phenol, 2-(1-naphthalenyl)-

CAS No: 101277-90-1 Catalog No: AG00044E MDL No:MFCD18312933

Product Description

Catalog Number:

AG00044E

Chemical Name:

Phenol, 2-(1-naphthalenyl)-

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.271g/mol

Monoisotopic Mass:

220.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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