(R)-(-)-2-Methoxy-2-phenylethanol

C₉H₁₂O₂CAS 17628-72-7152.19 g/mol

Open in Covalent MOL file

Alcohol Ether

Properties

Molecular formula: C₉H₁₂O₂
Molar mass: 152.19 g/mol
Exact mass: 152.0837 Da
logP: 1.37Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17628-72-7

SMILES

CO[C@@H](CO)C1=CC=CC=C1

InChIKey

JDTUPLBMGDDPJS-VIFPVBQESA-N

InChI

InChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1

Weigh it out

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

Work with (R)-(-)-2-Methoxy-2-phenylethanol

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

Similar compounds

2-Phenyl-1-propanol1123-85-950 % similar 2-Phenylpropanol37778-99-750 % similar 2-Phenyl-1-propanol98103-87-850 % similar (1R)-(-)-1-Phenylethane-1,2-diol16355-00-347 % similar (S)-(+)-1-Phenyl-1,2-ethanediol25779-13-947 % similar 1-Phenyl-1,2-ethanediol7138-28-547 % similar 1-Phenyl-1,2-ethanediol93-56-147 % similar 2-Amino-2-phenylethan-1-ol20989-17-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 Benzaldehyde dimethyl acetal1125-88-8 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 Bicyclo[3.3.1]nonane-2,6-dione16473-11-3 4-Propoxyphenol18979-50-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook