1-Methoxy-2,3,5-trimethylbenzene

C10H14OCAS 20469-61-8150.22 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
logP
2.62Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
20469-61-8
SMILES
COc1cc(C)cc(C)c1C
InChIKey
AWONIZVBKXHWJP-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-7-5-8(2)9(3)10(6-7)11-4/h5-6H,1-4H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1-methoxy-2,3,5-trimethyl-
  • Anisole, 2,3,5-trimethyl-
  • 2,3,5-Trimethylanisole

Work with 1-Methoxy-2,3,5-trimethylbenzene

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

Isodurene527-53-758 % similar 3,4,5-Trimethoxytoluene6443-69-256 % similar 2-Methoxy-1,4-dimethylbenzene1706-11-255 % similar 2,4-Dimethylanisole6738-23-455 % similar 4-Methylsyringol6638-05-752 % similar 2,3-Dimethylanisole2944-49-250 % similar 3,4-Dimethoxytoluene494-99-548 % similar 2,3,5-Trimethylphenol697-82-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 Safranal116-26-7 (S)-Verbenone1196-01-6 (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-3 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8

Elsewhere

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