CAS 132797-26-3 | 1(2H)-Naphthalenone, 3,4-dihydro-2-(phenylmethyl)-, (2R)- | CAS Number 132797-26-3

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132797-26-3 | 1(2H)-Naphthalenone, 3,4-dihydro-2-(phenylmethyl)-, (2R)-

CAS No: 132797-26-3 Catalog No: AG001174 MDL No:

Product Description

Catalog Number:

AG001174

Chemical Name:

1(2H)-Naphthalenone, 3,4-dihydro-2-(phenylmethyl)-, (2R)-

CAS Number:

132797-26-3

Molecular Formula:

C17H16O

Molecular Weight:

236.3083

IUPAC Name:

2-benzyl-3,4-dihydro-2H-naphthalen-1-one

InChI:

InChI=1S/C17H16O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-9,15H,10-12H2

InChI Key:

LWBKNBIUKKTGEJ-UHFFFAOYSA-N

SMILES:

O=C1[C@H](CCc2c1cccc2)Cc1ccccc1

Properties

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.314g/mol

Monoisotopic Mass:

236.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Novel tetralone-derived retinoic acid metabolism blocking agents: synthesis and in vitro evaluation with liver microsomal and MCF-7 CYP26A1 cell assays.	Journal of medicinal chemistry 20051117
Synthesis and CYP24 inhibitory activity of 2-substituted-3,4-dihydro-2H-naphthalen-1-one (tetralone) derivatives.	Bioorganic & medicinal chemistry letters 20041115