4-Ethyl-1-naphthoic acid

C13H12O2CAS 91902-58-8200.24 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C13H12O2
Molar mass
200.24 g/mol
Exact mass
200.0837 Da
logP
3.10Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

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
91902-58-8
SMILES
CCC1=CC=C(C2=CC=CC=C12)C(=O)O
InChIKey
PLFCGQDMWZGHOQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O2/c1-2-9-7-8-12(13(14)15)11-6-4-3-5-10(9)11/h3-8H,2H2,1H3,(H,14,15)

Weigh it out

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

Work with 4-Ethyl-1-naphthoic acid

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-Naphthalenedicarboxylic acid605-70-967 % similar 2-Ethylbenzoic acid612-19-165 % similar 4-Acetyl-1-naphthalenecarboxylic acid131986-05-558 % similar 4-Methyl-1-naphthoic acid4488-40-858 % similar 4-Chloronaphthalene-1-carboxylic acid1013-04-354 % similar 4-Bromo-1-naphtalenecarboxylic acid16650-55-854 % similar 4-Fluoro-1-naphthoic acid573-03-554 % similar 4-Methoxy-1-naphthalenecarboxylic acid13041-62-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Monobenzone103-16-2 3-Phenoxybenzyl alcohol13826-35-2 2-Methoxyphenyl phenyl ether1695-04-1 2-Ethoxy-1-naphthalenecarboxaldehyde19523-57-0 (4-Phenoxyphenyl)methanol2215-78-3 2-((1-Naphthalenyloxy)methyl)oxirane2461-42-9 Methyl 1-naphthylacetate2876-78-0 Ethyl 2-naphthoate3007-91-8

Elsewhere

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