3-Methoxybenzeneethanol

C9H12O2CAS 5020-41-7152.19 g/mol

Open in Covalent MOL file
OHO
AlcoholEther

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Boiling point
135–137 °C (at 12 Torr)
logP
1.23Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
5020-41-7
SMILES
COc1cccc(CCO)c1
InChIKey
UPPGEJSCUZMCMW-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzeneethanol, 3-methoxy-
  • Phenethyl alcohol, m-methoxy-
  • 2-(3-Methoxyphenyl)ethanol
  • m-Methoxyphenethyl alcohol
  • 1-(2-Hydroxyethyl)-3-methoxybenzene
  • 3-Methoxyphenethyl alcohol
  • 2-(m-Methoxyphenyl)ethanol
  • 2-(3-Methoxyphenyl)-1-ethanol
  • NSC 55877

Work with 3-Methoxybenzeneethanol

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

3-Methoxybenzyl alcohol6971-51-368 % similar 3-Methoxyphenethylamine2039-67-064 % similar 2-(4-Methoxyphenyl)ethanol702-23-863 % similar 2-[2-(3-Methoxyphenyl)ethyl]phenol167145-13-359 % similar 3-Methoxy-N-methylbenzylamine 9741789-95-159 % similar 3-(3-Methoxyphenyl)propionic acid10516-71-958 % similar 3-Methoxybenzylamine5071-96-558 % similar 3-Methoxybenzyl chloride824-98-658 % 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 (R)-(-)-2-Methoxy-2-phenylethanol17628-72-7

Elsewhere

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