1-Phenylacetylnaphthalene

CAT: 0127-OR1026307-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1026307-01Size:100 mg

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CAS Number

605-85-6

Synonyms

1-naphthalen-1-yl-2-phenylethanone

Purity

98%

Smiles

C1=CC=C(C=C1)CC(=O)C2=CC=CC3=CC=CC=C32

Chemical Information

Ethanone, 1-(1-naphthalenyl)-2-phenyl-

CAS Number	605-85-6
PubChem CID	2749463
IUPAC Name	1-naphthalen-1-yl-2-phenylethanone
Molecular Formula	C18H14O
Molecular Weight	246.3
XLogP	4.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	303

SMILES

C1=CC=C(C=C1)CC(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H14O/c19-18(13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2

InChIKey

MIWBWVYSHZGCDQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 605-85-6

CID: 2749463

Formula: C18H14O

MW: 246.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.3
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	246.104465066
Monoisotopic Mass	246.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP12620-01	1,1,1,1-Kestohexaose
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR16079-01	1,1,1-Trichloroacetone
PC7819M-01	1,1,1-Trifluoropropane
OR1044052-01	1,1,1-Trimethoxypropane
OR305626	1,1,1-Triphenylsilanamine
PC2909	1,1,1-Trifluorobutane
PC01657-01	1,1,1-Trifluorohexane

Catalog	Name
OF59775-01	1,1,1,1,1-Kestoheptaose
N2864-100	1,1,1,1-Kestohexaose
OK59466-01	1,1,1,1-Kestohexose
TRC-T773995-100MG	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
HY-157129	AMPK-α1β1γ1 activator 1
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
FT77421-01	1,1,1-Trifluorobutane
T40476	1,1,1-Tribromoacetone