1-Methoxy-2-phenylpropan-2-ol

CAT: 0926-DAA58766-01Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-DAA58766-01Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

3587-66-4

MDL Number

MFCD16787658

Smiles

CC (COC) (C1=CC=CC=C1) O

Molecular Formula

C10H14O2

Molecular Weight

166.22 g/mol

Controlled

Chemical Information

1-Methoxy-2-phenylpropan-2-ol

CAS Number	3587-66-4
PubChem CID	13512556
IUPAC Name	1-methoxy-2-phenylpropan-2-ol
Molecular Formula	C10H14O2
Molecular Weight	166.22
XLogP	1.1
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	130

SMILES

CC(COC)(C1=CC=CC=C1)O

InChI

InChI=1S/C10H14O2/c1-10(11,8-12-2)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3

InChIKey

HCJQMIPDMWDJJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3587-66-4

CID: 13512556

Formula: C10H14O2

MW: 166.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.22
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	166.099379685
Monoisotopic Mass	166.099379685
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
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
WIA90850-01	2-Methoxy-3-phenylpropan-1-ol
PDC01988-01	2-Amino-3-methoxy-2-phenylpropan-1-ol
NAA12559-01	3-Methoxy-1-phenylpropan-1-ol
AAA69887	1-Phenylpropan-2-ol
PAA89887	1-Phenylpropan-2-ol
APD14720-01	2-Amino-3-methoxy-2-phenylpropan-1-ol hydrochloride
GAA30919-01	1- (Methylamino) -2-phenylpropan-2-ol
QDA64281-01	2-amino-2-phenylpropan-1-ol
CAA17369	2-Methyl-2-phenylpropan-1-ol
XZB73151-01	1-Methoxy-2-phenylpropan-2-amine