Dihydroidebenone

CAT: 1596-AR-I01145-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I01145-01Size:10 Units

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CAS Number

58186-26-8

Synonyms

2- (10-hydroxydecyl) -5,6-dimethoxy-3-methylbenzene-1,4-diol

Molecular Formula

C19H32O5

Molecular Weight

340.46

API Name

Idebenone

Chemical Information

2-(10-Hydroxydecyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol

1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl- is an ubiquinol.

CAS Number	58186-26-8
PubChem CID	10268851
IUPAC Name	2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol
Molecular Formula	C19H32O5
Molecular Weight	340.5
XLogP	5.1
Topological Polar Surface Area	79.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Heavy Atom Count	24
Formal Charge	0
Complexity	312

SMILES

CC1=C(C(=C(C(=C1O)OC)OC)O)CCCCCCCCCCO

InChI

InChI=1S/C19H32O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20-22H,4-13H2,1-3H3

InChIKey

NKZQVSIABNMNFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58186-26-8

CID: 10268851

Formula: C19H32O5

MW: 340.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.5
XLogP3	5.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	340.22497412
Monoisotopic Mass	340.22497412
Topological Polar Surface Area	79.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	312
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
TRC-D451518-5MG	Dihydroidebenone
447005-01	Dihydroidebenone 3-13CD3