chempirical

4-Methoxy-1-naphthaldehyde

C12H10O2CAS 15971-29-6186.21 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C12H10O2
Molar mass
186.21 g/mol
Exact mass
186.0681 Da
Melting point
34.8 °C
Boiling point
200–202 °C (at 10 Torr)
logP
2.66Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
15971-29-6
SMILES
COc1ccc(C=O)c2ccccc12
InChIKey
MVXMNHYVCLMLDD-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3

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Names and synonyms

7 names
  • 1-Naphthalenecarboxaldehyde, 4-methoxy-
  • 1-Naphthaldehyde, 4-methoxy-
  • 4-Methoxy-1-naphthalenecarboxaldehyde
  • 4-Methoxy-1-naphthylaldehyde
  • NSC 97025
  • 4-Formyl-1-methoxynaphthalene
  • 1-(4-Methoxy)naphthaldehyde

Work with 4-Methoxy-1-naphthaldehyde

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

1,4-Dimethoxynaphthalene10075-62-463 % similar 2,3,4-Trimethoxybenzaldehyde2103-57-359 % similar 4-Methoxy-2,3-dimethylbenzaldehyde38998-17-356 % similar 4-Methoxy-1-naphthol84-85-555 % similar 2,5-Dimethoxybenzaldehyde93-02-753 % similar 2,4-Dimethoxybenzaldehyde613-45-651 % similar 2,3-Dimethoxybenzaldehyde86-51-151 % similar 2-Hydroxy-3,4-dimethoxybenzaldehyde19283-70-651 % similar

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

Same formula

Phenylhydroquinone1079-21-6 2-Naphthyl acetate1523-11-1 2,2'-Biphenol1806-29-7 Methyl 2-naphthoate2459-25-8 6-Methoxy-2-naphthaldehyde3453-33-6 2-Methoxy-1-naphthaldehyde5392-12-1 2-Naphthaleneacetic acid581-96-4 3-Phenoxyphenol713-68-8

Elsewhere

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