α-Ethyl-3,5-dimethoxybenzenemethanol

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CAS Number

203912-55-4

MDL Number

MFCD11835554

Smiles

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

Chemical Information

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

CAS Number	203912-55-4
PubChem CID	42957590
IUPAC Name	1-(3,5-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	149

SMILES

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

InChI

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

InChIKey

KVVMCOXXZIIDGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 203912-55-4

CID: 42957590

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
OR1094710	α-Ethyl-2,5-dimethoxybenzenemethanol
OR1093814-01	α-Ethyl-2,3-dimethoxybenzenemethanol
OR1083368-01	α-Cyclohexyl-3,5-dimethoxybenzenemethanol
OR1083872-01	α-Cyclopropyl-3,5-dimethoxybenzenemethanol
OR1094075	α-Ethyl-2,4-dimethoxybenzenemethanol
OR1081301-01	α- (3-Chlorophenyl) -2,5-dimethoxybenzenemethanol
OR1084442-01	α- (1-Ethylpropyl) -3,5-dimethoxybenzenemethanol
OR1080819-01	α-Cyclopropyl-2,5-dimethoxybenzenemethanol
OR1080829-01	α-Cyclopentyl-2,5-dimethoxybenzenemethanol
OR1091841-01	α-Ethenyl-3,4-dimethoxybenzenemethanol

Catalog	Name
TRC-B683812-250MG	4-Bromo-3,5-dimethoxybenzenemethanol-d6
sc-471205	(αR) -α- (Iodomethyl) -3,4-dimethoxybenzenemethanol
sc-479551	(S) -α- (2-Amino-5-chlorophenyl) -2,3-dimethoxybenzenemethanol
TRC-A603700-1G	(S)-alpha-(2-Amino-5-chlorophenyl)-2,3-dimethoxybenzenemethanol
MBS6056817-01	(alphaR)-alpha-(Iodomethyl)-3,4-dimethoxybenzenemethanol
XCA59156-01	3-Ethyl-5-isoxazolecarbaldehyde
275694-01	Ethyl 3,5-diaminobenzoate
sc-234986	Ethyl 3,5-dihydroxybenzoate
MBS5779035	3-Ethyl-5-methylphenol
FE70670-01	Ethyl 3,5-dinitrobenzoate