α-Ethyl-2,5-dimethoxybenzenemethanol

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CAS Number

89106-42-3

MDL Number

MFCD11521223

Smiles

C (CC) (O) c1c (OC) ccc (OC) c1

Chemical Information

1-(2,5-Dimethoxyphenyl)-1-propanol

CAS Number	89106-42-3
PubChem CID	597464
IUPAC Name	1-(2,5-dimethoxyphenyl)propan-1-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	161

SMILES

CCC(C1=C(C=CC(=C1)OC)OC)O

InChI

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

InChIKey

HNTMARCMBGCYEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89106-42-3

CID: 597464

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	161
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
OR1086967	α-Ethyl-3,5-dimethoxybenzenemethanol
OR1093814-01	α-Ethyl-2,3-dimethoxybenzenemethanol
OR1094075	α-Ethyl-2,4-dimethoxybenzenemethanol
OR1080819-01	α-Cyclopropyl-2,5-dimethoxybenzenemethanol
OR1080829-01	α-Cyclopentyl-2,5-dimethoxybenzenemethanol
OR1082017-01	α- (1-Ethylpropyl) -2,5-dimethoxybenzenemethanol
OR1081301-01	α- (3-Chlorophenyl) -2,5-dimethoxybenzenemethanol
OR1091822-01	α- (4-Chlorophenyl) -2,5-dimethoxybenzenemethanol
OR1083368-01	α-Cyclohexyl-3,5-dimethoxybenzenemethanol
OR1083872-01	α-Cyclopropyl-3,5-dimethoxybenzenemethanol

Catalog	Name
sc-479551	(S) -α- (2-Amino-5-chlorophenyl) -2,3-dimethoxybenzenemethanol
TRC-A603700-1G	(S)-alpha-(2-Amino-5-chlorophenyl)-2,3-dimethoxybenzenemethanol
TRC-B683812-25MG	4-Bromo-3,5-dimethoxybenzenemethanol-d6
sc-471205	(αR) -α- (Iodomethyl) -3,4-dimethoxybenzenemethanol
TRC-E925530-100G	5-Ethyl-2-methylpyridine(5-Ethyl-2-picoline)
sc-353430A	Ethyl 2-ethyl-5-nitronicotinate
TRC-E917905-5G	Ethyl (5-Ethyl-2-pyridinyl)acetate
275130-01	Ethyl (5-ethyl-2-pyridinyl) acetate
E8606-06	Ethyl (5-Ethyl-2-pyridinyl) acetate ((5-Ethyl-pyridin-2-yl) -acetic Acid Ethyl Ester)
MBS6094500-01	Ethyl (5-Ethyl-2-pyridinyl)acetate ((5-Ethyl-pyridin-2-yl)-acetic Acid Ethyl Ester)