Diisohomoeugenol

CAT: 0572-TRC-D464435-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D464435-100MGSize:100 mg

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CAS Number

4483-47-0

Synonyms

Dimethyl Ether of Diisoeugenol; NSC 10200; 1-(3,4-Dimethoxyphenyl)-3-ethyl-2,3-dihydro-5,6-dimethoxy-2-methyl-1H-indene; 3-Ethyl-5,6-dimethoxy-1- (3,4-dimethoxyphenyl-2 methyl) -indane;

Hazard Statement

Harmful if swallowed; UN number: UN3077; Packing Group: III

Purity

>95% (HPLC)

Smiles

CCC1C(C)C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13

Molecular Formula

C22H28O4

Molecular Weight

356.46

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

1-(3,4-Dimethoxyphenyl)-3-ethyl-5,6-dimethoxy-2-methyl-2,3-dihydro-1h-indene

CAS Number	4483-47-0
PubChem CID	223051
IUPAC Name	1-(3,4-dimethoxyphenyl)-3-ethyl-5,6-dimethoxy-2-methyl-2,3-dihydro-1H-indene
Molecular Formula	C22H28O4
Molecular Weight	356.5
XLogP	5.2
Topological Polar Surface Area	36.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	442

SMILES

CCC1C(C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H28O4/c1-7-15-13(2)22(14-8-9-18(23-3)19(10-14)24-4)17-12-21(26-6)20(25-5)11-16(15)17/h8-13,15,22H,7H2,1-6H3

InChIKey

RTPSBRFMJKJZNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4483-47-0

CID: 223051

Formula: C22H28O4

MW: 356.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	356.5
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	356.19875937
Monoisotopic Mass	356.19875937
Topological Polar Surface Area	36.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	442
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
EAA48347	Diisohomoeugenol

Diisohomoeugenol

Chemical Information

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