(S)-1-(4-Methoxyphenyl)ethanol

C₉H₁₂O₂CAS 1572-97-0152.19 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: 1.75Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H227 Combustible liquid100% of notifiers
H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

1572-97-0

SMILES

COc1ccc([C@H](C)O)cc1

InChIKey

IUUULXXWNYKJSL-ZETCQYMHSA-N

InChI

InChI=1S/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-/m0/s1

Weigh it out

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

Names and synonyms

11 names

Benzenemethanol, 4-methoxy-α-methyl-, (αS)-
Benzenemethanol, 4-methoxy-α-methyl-, (S)-
(αS)-4-Methoxy-α-methylbenzenemethanol
(S)-1-(p-Methoxyphenyl)ethanol
(S)-4-Methoxy-α-methylbenzyl alcohol
(S)-(-)-1-(p-Methoxyphenyl)ethanol
(-)-1-(p-Methoxyphenyl)ethanol
(1S)-1-(4-Methoxyphenyl)ethanol
(S)-1-(4-Methoxyphenyl)-1-ethanol
(-)-1-(4-Methoxyphenyl)ethanol
(1S)-1-(4-Methoxyphenyl)ethan-1-ol

Work with (S)-1-(4-Methoxyphenyl)ethanol

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.

1-(4-Methoxyphenyl)ethanol3319-15-1Stereo not defined

Similar compounds

1-(6-Methoxy-2-naphthyl)ethanol77301-42-968 % similar p,p'-Dimethoxybenzhydryl alcohol728-87-063 % similar 4-Isopropylanisole4132-48-359 % similar 4-Methoxybenzhydryl alcohol720-44-555 % similar 1-(4-Hydroxyphenyl)ethanol2380-91-854 % similar p,Alpha-DIMETHYLBENZYL ALCOHOL536-50-554 % similar (+)-1-(4-Methoxyphenyl)ethylamine22038-86-453 % similar (αS)-4-Methoxy-α-methylbenzenemethanamine41851-59-653 % 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 Bicyclo[3.3.1]nonane-2,6-dione16473-11-3 (R)-(-)-2-Methoxy-2-phenylethanol17628-72-7 4-Propoxyphenol18979-50-5

Elsewhere

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