4-Methyl-1-naphthaldehyde

C12H10OCAS 33738-48-6170.21 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C12H10O
Molar mass
170.21 g/mol
Exact mass
170.0732 Da
logP
2.96Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
33738-48-6
SMILES
CC1=CC=C(C2=CC=CC=C12)C=O
InChIKey
LANRGTXVAPBSIA-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-8H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 1-Naphthalenecarboxaldehyde, 4-methyl-

Work with 4-Methyl-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-Dimethylnaphthalene571-58-458 % similar 2-Methylbenzaldehyde529-20-457 % similar 4-Hydroxy-1-naphthaldehyde7770-45-857 % similar 4-Methoxy-1-naphthaldehyde15971-29-655 % similar 2,3-Difluoro-4-methylbenzaldehyde245536-50-950 % similar (4-Formyl-1-naphthalene)boronic acid332398-52-450 % similar 1-Naphthalenecarboxaldehyde66-77-350 % similar 7-Methyl-1H-indole-3-carbaldehyde4771-50-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diphenyl ether101-84-8 3-Phenylphenol580-51-8 (±)-Acenaphthenol6306-07-6 (1,1'-Biphenyl)-2-ol90-43-7 4-Phenylphenol92-69-3 2-Acetylnaphthalene93-08-3 1-Acetylnaphthalene941-98-0

Elsewhere

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