4- (Hydroxymethyl) -2,6-dimethylphenol

CAT: 0127-OR91129-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR91129-01Size:100 mg

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CAS Number

4397-14-2

MDL Number

MFCD02912490

Purity

98%

Smiles

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

Chemical Information

4-(Hydroxymethyl)-2,6-dimethylphenol

CAS Number	4397-14-2
PubChem CID	278660
IUPAC Name	4-(hydroxymethyl)-2,6-dimethylphenol
Molecular Formula	C9H12O2
Molecular Weight	152.19
XLogP	1.4
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	113

SMILES

CC1=CC(=CC(=C1O)C)CO

InChI

InChI=1S/C9H12O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,10-11H,5H2,1-2H3

InChIKey

ZVXBWEIAIZEPGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4397-14-2

CID: 278660

Formula: C9H12O2

MW: 152.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.19
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	152.083729621
Monoisotopic Mass	152.083729621
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	113
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
OR72258	3- (Hydroxymethyl) -2,6-dimethylphenol
OR307180-01	4- (Hydroxymethyl) -3,5-dimethylphenol
OR957565-01	4-Methoxy-2,6-dimethylphenol
OR60001-01	2-Amino-4,6-dimethylphenol
PC100139-01	4-Fluoro-2,6-dimethylphenol
OR5479	4-Bromo-2,6-dimethylphenol
OR1092661-01	2-Cyclohexyl-4,6-dimethylphenol
OR322178-01	4-Chloro-2,6-dimethylphenol
OR59890-01	4-Bromo-2,6-dimethylphenol
OR15140-01	2-Bromo-4,6-dimethylphenol

Catalog	Name
sc-314949	4- (Hydroxymethyl) -2,6-dimethylphenol
DBA17771-01	2- (Hydroxymethyl) -6-nitrophenol
sc-337037	6- (Hydroxymethyl) -2-pyridinecarbonitrile
sc-357072A	6- (Hydroxymethyl) -2-thiouracil
J-640346-01	2,2,6,6-Tetrakis (hydroxymethyl) cyclohexanol
CFA27493-01	6- (Hydroxymethyl) -6-methylpiperidin-2-one
TCA65811-01	2-Ethyl-6- (hydroxymethyl) phenol
FH54500-01	6- (Hydroxymethyl) pyridine-2-carboxaldehyde
TYD-00451-01	2-Bromo-6- (hydroxymethyl) pyridine
sc-238087	2-Hydroxymethyl-18-crown-6