2-Methyl-2-phenylpropan-1-ol

CAT: 0926-CAA17369Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-CAA17369Size:5 g

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CAS Number

2173-69-5

MDL Number

MFCD00506139

Smiles

CC (C) (CO) C1=CC=CC=C1

Molecular Formula

C10H14O

Molecular Weight

150.22 g/mol

Controlled

Chemical Information

beta,beta-Dimethylbenzeneethanol

CAS Number	2173-69-5
PubChem CID	219535
IUPAC Name	2-methyl-2-phenylpropan-1-ol
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	2.9
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	112

SMILES

CC(C)(CO)C1=CC=CC=C1

InChI

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

InChIKey

ZVSCENGNXWPDPL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2173-69-5

CID: 219535

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	2.9
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	112
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
PAA89886-01	(1R) -2-Methyl-1-phenylpropan-1-ol
AAA82660-01	1-Amino-2-methyl-1-phenylpropan-2-ol
JBA40542	2-Amino-2-methyl-1-phenylpropan-1-ol
AAA69887	1-Phenylpropan-2-ol
PAA89887	1-Phenylpropan-2-ol
GAA30919-01	1- (Methylamino) -2-phenylpropan-2-ol
DAA58766-01	1-Methoxy-2-phenylpropan-2-ol
QDA64281-01	2-amino-2-phenylpropan-1-ol
TAA25940-01	2- (Ethylamino) -1-phenylpropan-1-ol
RDA25173-01	2- (Methylamino) -3-phenylpropan-1-ol

Catalog	Name
MBS9022896-01	2-Methyl-2-phenylpropan-1-ol
CSB-DT2404	2-Methyl-2-phenylpropan- 1-ol
OR93668-01	2-Methyl-1-phenylpropan-2-ol
OR1010538-01	2-Methyl-1-Phenylpropan-1-Ol
OR96711-01	2-Methyl-3-phenylpropan-1-ol
AR-O01637-01	2-amino-2-methyl-1-phenylpropan-1-ol
AR-O01638-01	2-methyl-2- (methylamino) -1-phenylpropan-1-ol
OR1057248-01	(S) -2-Methyl-1-phenylpropan-1-ol
AR-M03213-01	2-Phenylpropan-1-ol
412795-01	(1S) -1-Amino-2-methyl-1-phenylpropan-2-ol