Paradol

CAT: 0127-BUP15652-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15652-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

27113-22-0

Synonyms

6-paradol, [6]-Gingerone

Purity

=98%

Smiles

CCCCCCCC(=O)CCc1ccc(O)c(OC)c1

Chemical Information

Paradol

[6]-Paradol is a ketone, a monomethoxybenzene and a member of phenols.

CAS Number	27113-22-0
PubChem CID	94378
IUPAC Name	1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Molecular Formula	C17H26O3
Molecular Weight	278.4
XLogP	3.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Heavy Atom Count	20
Formal Charge	0
Complexity	265

SMILES

CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3

InChIKey

CZNLTCTYLMYLHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27113-22-0

CID: 94378

Formula: C17H26O3

MW: 278.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.4
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	10
Exact Mass	278.18819469
Monoisotopic Mass	278.18819469
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	265
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