(S) -1-Phenyl-2-propanol

CAT: 0926-FP60223-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FP60223-01Size:10 g

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CAS Number

1517-68-6

MDL Number

MFCD00066456

Smiles

C[C@@H] (CC1=CC=CC=C1) O

Molecular Formula

C9H12O

Molecular Weight

136.19 g/mol

Controlled

Chemical Information

(S)-1-Phenyl-2-propanol

CAS Number	1517-68-6
PubChem CID	6994174
IUPAC Name	(2S)-1-phenylpropan-2-ol
Molecular Formula	C9H12O
Molecular Weight	136.19
XLogP	2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	84

SMILES

C[C@@H](CC1=CC=CC=C1)O

InChI

InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1

InChIKey

WYTRYIUQUDTGSX-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 1517-68-6

CID: 6994174

Formula: C9H12O

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	136.088815002
Monoisotopic Mass	136.088815002
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	84.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
BAA12385-01	2-Phenyl-1-propanol
FC19994-01	(S) - (-) -3-Chloro-1-phenyl-1-propanol
FP60222-01	(R) -1-Phenyl-2-propanol
AAA09354-01	1-Phenyl-1-propanol
FP32617-01	3-Phenyl-1-propanol
VCA37776-01	(S) -1- (Methylamino) -2-propanol Hydrochloride
IM58069-01	(R, S) -N-Methyl 3-benzylamino-1-phenyl-1-propanol
FD59964-01	(1R,2S) -2- (Dibutylamino) -1-phenyl-1-propanol
FA74897-01	(S) - (-) -2-Amino-1,1-diphenyl-1-propanol
FAA55464-01	3-Dimethylamino-1-phenyl-1-propanol