1- (4-dodecylphenyl) ethanone

CAT: 0127-OR1093224-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1093224-01Size:250 mg

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CAS Number

6313-88-8

Purity

97%

Smiles

C1 (ccc (cc1) C (=O) C) CCCCCCCCCCCC

Chemical Information

p-Laurylacetophenone

CAS Number	6313-88-8
PubChem CID	80582
IUPAC Name	1-(4-dodecylphenyl)ethanone
Molecular Formula	C20H32O
Molecular Weight	288.5
XLogP	7.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
Heavy Atom Count	21
Formal Charge	0
Complexity	251

SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C20H32O/c1-3-4-5-6-7-8-9-10-11-12-13-19-14-16-20(17-15-19)18(2)21/h14-17H,3-13H2,1-2H3

InChIKey

BHNXFIZZDLESSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6313-88-8

CID: 80582

Formula: C20H32O

MW: 288.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.5
XLogP3	7.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
Exact Mass	288.245315640
Monoisotopic Mass	288.245315640
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	251
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
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OR1026887-01	1- (4-Propoxyphenyl) Ethanone
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OR1058112-01	1- (4-Mercaptophenyl) ethanone
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OR55670-01	1- (4-Cyclopropylphenyl) ethanone
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