(R)-1-Phenyl-2-propanol

C₉H₁₂OCAS 1572-95-8136.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂O
Molar mass: 136.19 g/mol
Exact mass: 136.0888 Da
logP: 1.61Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

1572-95-8

SMILES

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

InChIKey

WYTRYIUQUDTGSX-MRVPVSSYSA-N

InChI

InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1-Phenyl-2-propanol, (-)-

Work with (R)-1-Phenyl-2-propanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-1-Phenyl-2-propanol1517-68-6Enantiomer 1-Phenyl-2-propanol14898-87-4Stereo not defined 1-Phenyl-2-propanol698-87-3Stereo not defined

Similar compounds

4-Phenyl-2-butanol2344-70-965 % similar Isobutylbenzene538-93-256 % similar 2-Bromo-1-phenylpropane2114-39-850 % similar Amphetamine300-62-950 % similar D-Amphetamine51-64-950 % similar 1-Phenoxy-2-propanol770-35-450 % similar Methamphetamine537-46-247 % similar Formetorex15302-18-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dimethylanisole1004-66-6 2-Phenyl-1-propanol1123-85-9 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Ethyl-4-methoxybenzene1515-95-3 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

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