2- (2,6-dimethylphenyl) ethanol

CAT: 0127-OR1069444-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1069444-01Size:100 mg

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CAS Number

30595-80-3

MDL Number

MFCD09926174

Purity

97%

Smiles

CC1=C(CCO)C(C)=CC=C1

Chemical Information

2-(2,6-Dimethylphenyl)ethanol

CAS Number	30595-80-3
PubChem CID	33942
IUPAC Name	2-(2,6-dimethylphenyl)ethanol
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	2.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	101

SMILES

CC1=C(C(=CC=C1)C)CCO

InChI

InChI=1S/C10H14O/c1-8-4-3-5-9(2)10(8)6-7-11/h3-5,11H,6-7H2,1-2H3

InChIKey

UQTWNZAKBJDDAY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 30595-80-3

CID: 33942

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	150.104465066
Monoisotopic Mass	150.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	101
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
OR1087032-01	2,2-dichloro-1- (2,6-dimethylphenyl) ethanol
OR1091182-01	1- (4-bromo-2,6-dimethylphenyl) ethanol
PC1012585-01	1- (4-fluoro-2,6-dimethylphenyl) ethanol
OR947310-01	2- (2,5-Dimethylphenyl) ethanol
OR1097400-01	1- (4-Methoxy-2,6-dimethylphenyl) ethanol
OR1102289-01	1- (2,3-Dimethylphenyl) ethanol
OR111124-01	1- (2,4-Dimethylphenyl) ethanol
OR1097813-01	2,2-Dichloro-1- (4-methoxy-2,6-dimethylphenyl) ethanol
PC1017557-01	2,2-Dichloro-1- (4-fluoro-2,6-dimethylphenyl) ethanol
OR1065051-01	2-Amino-2- (3,5-dimethylphenyl) ethanol