CAS 39686-51-6 | 1,5-Diphenyl-1-pentanone | CAS Number 39686-51-6

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39686-51-6 | 1,5-Diphenyl-1-pentanone

CAS No: 39686-51-6 Catalog No: AG0037J7 MDL No:

Product Description

Catalog Number:

AG0037J7

Chemical Name:

1,5-Diphenyl-1-pentanone

CAS Number:

39686-51-6

Molecular Formula:

C17H18O

Molecular Weight:

238.3242

IUPAC Name:

1,5-diphenylpentan-1-one

InChI:

InChI=1S/C17H18O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13H,7-8,11,14H2

InChI Key:

DBLFABLNCUNXAR-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1)CCCCc1ccccc1

NSC Number:

68549

Properties

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.33g/mol

Monoisotopic Mass:

238.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
Design, synthesis, and bioactivities screening of a diaryl ketone-inspired pesticide molecular library as derived from natural products.	Chemical biology & drug design 20110701
Lead optimization and insecticidal activity of analogues of daphneolone isolated from Stellera chamaejasme L.	Pest management science 20070901
Orthogonal test design for optimization of supercritical fluid extraction of daphnoretin, 7-methoxy-daphnoretin and 1,5-diphenyl-1-pentanone from Stellera chamaejasme L. and subsequent isolation by high-speed counter-current chromatography.	Journal of chromatography. A 20061201
Activity of the botanical aphicides 1,5-diphenyl-1-pentanone and 1,5-diphenyl-2-penten-1-one on two species of Aphididnae.	Pest management science 20010301