α,2,5-Trimethylbenzeneethanol

CAT: 0127-OR1097846-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097846-01Size:250 mg

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CAS Number

27645-00-7

Purity

95%

Smiles

C (C (C) O) c1c (C) ccc (C) c1

Chemical Information

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

CAS Number	27645-00-7
PubChem CID	12860830
IUPAC Name	1-(2,5-dimethylphenyl)propan-2-ol
Molecular Formula	C11H16O
Molecular Weight	164.24
XLogP	2.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	133

SMILES

CC1=CC(=C(C=C1)C)CC(C)O

InChI

InChI=1S/C11H16O/c1-8-4-5-9(2)11(6-8)7-10(3)12/h4-6,10,12H,7H2,1-3H3

InChIKey

HTWOELUGJNXJKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27645-00-7

CID: 12860830

Formula: C11H16O

MW: 164.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.24
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	164.120115130
Monoisotopic Mass	164.120115130
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	133
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
OR1080796	α,3,5-Trimethylbenzeneethanol
OR1095557-01	α,2,5-Trimethylbenzenemethanol
OR1084409-01	α-Ethyl-α,2,5-trimethylbenzenemethanol
OR1083842-01	α-Cyclopentyl-2,4,5-trimethylbenzenemethanol
OR1084504-01	α-Ethenyl-2,4,5-trimethylbenzenemethanol
PC1012804-01	2-Fluoro-3-methoxy-α, α,5-trimethylbenzenemethanol
PC1012688-01	3-Chloro-2-fluoro-α, α,5-trimethylbenzenemethanol
OR1097224-01	3-Bromo-α, α,5-trimethylbenzenemethanol
PC1010892-01	3-Fluoro-α, α,5-trimethylbenzenemethanol
OR1080864	α-Cyclopropyl-α,3,5-trimethylbenzenemethanol

Catalog	Name
sc-227020	5,5''-Dibromo-2,2':5',2''-terthiophene
sc-477057	2,2':5',2''-Terthiophene-5,5''-dicarboxaldehyde
sc-474109	2,2′:5′,2′′:5′′,2′′′-Quaterthiophene
FT172401-01	2,2,5,5-Tetramethyloxolane
JH160241	2,2',5,5'-Tetrachlorobenzidine
sc-265954	2,2',5,5'-Tetramethylbiphenyl
419550-01	2,2',5,5'-Tetrachlorobiphenyl
EAA37887-01	1, 2, 5-Oxadithiolane 2, 2, 5, 5-tetraoxide
JH464578	2,2,5,5-tetramethyl-1,2,5-oxadisilolane
sc-481796	5''-Bromo-2,2:5',2''-terthiophene-5-carboxaldehyde