α,2,5-Trimethylbenzenemethanol

CAT: 0127-OR1095557-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

32917-52-5

MDL Number

MFCD00016855

Purity

97%

Smiles

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

Chemical Information

alpha,2,5-Trimethylbenzenemethanol

CAS Number	32917-52-5
PubChem CID	118010
IUPAC Name	1-(2,5-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	1
Heavy Atom Count	11
Formal Charge	0
Complexity	122

SMILES

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

InChI

InChI=1S/C10H14O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6,9,11H,1-3H3

InChIKey

VHLZFCOCNJEXTQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32917-52-5

CID: 118010

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	1
Exact Mass	150.104465066
Monoisotopic Mass	150.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	122
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
OR1083842-01	α-Cyclopentyl-2,4,5-trimethylbenzenemethanol
OR1084504-01	α-Ethenyl-2,4,5-trimethylbenzenemethanol
OR1097224-01	3-Bromo-α, α,5-trimethylbenzenemethanol
PC1012804-01	2-Fluoro-3-methoxy-α, α,5-trimethylbenzenemethanol
PC1012688-01	3-Chloro-2-fluoro-α, α,5-trimethylbenzenemethanol
PC1010892-01	3-Fluoro-α, α,5-trimethylbenzenemethanol
OR1080864	α-Cyclopropyl-α,3,5-trimethylbenzenemethanol
OR1086426-01	3-Methoxy-α, α,5-trimethylbenzenemethanol
OR1094231-01	α-Ethyl-α,3,5-trimethylbenzenemethanol
PC1011797-01	2-Fluoro-α, α,3-trimethylbenzenemethanol

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