JWH-180

CAT: 0926-ZHB95987-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-ZHB95987-01Size:25 mg

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CAS Number

824959-87-7

Smiles

CCCC1=CC=C (C2=CC=CC=C12) C (=O) C3=CN (C4=CC=CC=C43) CCC

Molecular Formula

C25H25NO

Molecular Weight

355.5 g/mol

Controlled

Yes

Chemical Information

(1-Propyl-1H-indol-3-yl)(4-propylnaphthalen-1-yl)methanone

CAS Number	824959-87-7
PubChem CID	45266978
IUPAC Name	(1-propylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
Molecular Formula	C25H25NO
Molecular Weight	355.5
XLogP	6.8
Topological Polar Surface Area	22
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	503

SMILES

CCCC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCC

InChI

InChI=1S/C25H25NO/c1-3-9-18-14-15-22(20-11-6-5-10-19(18)20)25(27)23-17-26(16-4-2)24-13-8-7-12-21(23)24/h5-8,10-15,17H,3-4,9,16H2,1-2H3

InChIKey

BMOMWXXAVVSIRU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 824959-87-7

CID: 45266978

Formula: C25H25NO

MW: 355.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.5
XLogP3	6.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	355.193614421
Monoisotopic Mass	355.193614421
Topological Polar Surface Area	22 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	503
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