3,5-Dimethoxy-α-methylbenzeneethanol

CAT: 0127-OR1098565-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1098565-01Size:250 mg

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CAS Number

79859-93-1

Purity

95%

Smiles

C (C (C) O) c1cc (OC) cc (OC) c1

Chemical Information

1-(3,5-Dimethoxyphenyl)propan-2-ol

CAS Number	79859-93-1
PubChem CID	10655492
IUPAC Name	1-(3,5-dimethoxyphenyl)propan-2-ol
Molecular Formula	C11H16O3
Molecular Weight	196.24
XLogP	1.9
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	149

SMILES

CC(CC1=CC(=CC(=C1)OC)OC)O

InChI

InChI=1S/C11H16O3/c1-8(12)4-9-5-10(13-2)7-11(6-9)14-3/h5-8,12H,4H2,1-3H3

InChIKey

YABKTQBEXIKHLD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79859-93-1

CID: 10655492

Formula: C11H16O3

MW: 196.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.24
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	196.109944368
Monoisotopic Mass	196.109944368
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1098097	3-Methoxy-α-methylbenzeneethanol
PC1023219-01	3-Fluoro-α-methylbenzeneethanol
OR1083984-01	α- (3-Chlorophenyl) -2,5-dimethoxy-α-methylbenzenemethanol
PC1023682	3,4-Difluoro-α-methylbenzeneethanol
OR1082470	α-Cyclopropyl-2,5-dimethoxy-α-methylbenzenemethanol
OR1093588	3,5-Dimethoxy-α-propylbenzenemethanol
OR1082631	α-Ethyl-3,4-dimethoxy-α-methylbenzenemethanol
OR1086511-01	4-Cyclohexyl-α-methylbenzeneethanol
OR1048520-01	Methyl 5,5-dimethoxy-3-oxopentanoate
OR1100769	3,5-Dimethoxy-N-methylbenzamide

Catalog	Name
CS-T-81056	Methylbenzeneethanol
424623-01	3-Bromo-β-methylbenzeneethanol
AR-A01275-01	Acotiamide 3,5-dimethoxy
TN2899	3,5-Dimethoxy-3'-hydroxybibenzyl
sc-497486	3′′′,5′′′-Dideshydroxy-3′′′,5′′′-dimethoxy Fidaxomicin
427803	3’’’,5’’’-Dideshydroxy-3’’’,5’’’-dimethoxy Fidaxomicin
FD155742-01	3,4-Dimethoxy-5-nitrobenzaldehyde
HBA90509-01	2,3-Dimethoxy-5-nitrophenol
BAA01127-01	3,5-dimethoxy-4-methylbenzaldehyde
FAA70186	2,3-Dimethoxy-5-methylbenzaldehyde