Cyperin

CAT: 0926-IBA71682-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-IBA71682-01Size:5 mg

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CAS Number

33716-82-4

Smiles

CC1=CC (=CC (=C1) OC2=C (C=C (C=C2C) OC) O) O

Molecular Formula

C15H16O4

Molecular Weight

260.28 g/mol

Controlled

Chemical Information

Cyperin

Cyperine is an aromatic ether.

CAS Number	33716-82-4
PubChem CID	182142
IUPAC Name	2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methylphenol
Molecular Formula	C15H16O4
Molecular Weight	260.28
XLogP	3.4
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	283

SMILES

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2C)OC)O)O

InChI

InChI=1S/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3

InChIKey

KXXZLMLLYMPYJE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33716-82-4

CID: 182142

Formula: C15H16O4

MW: 260.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.28
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	260.10485899
Monoisotopic Mass	260.10485899
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	283
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
FC65757-01	Alpha-Cyperone

Catalog	Name
HY-N7374	Cyperin