3,5-Dimethyl-4-nitrophenol

C₈H₉NO₃CAS 5344-97-8167.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₉NO₃
Molar mass: 167.16 g/mol
Exact mass: 167.0582 Da
logP: 1.92Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5344-97-8

SMILES

CC1=CC(=CC(=C1[N+](=O)[O-])C)O

InChIKey

MMLPWOHLKRXZJA-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO3/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,10H,1-2H3

Weigh it out

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

Work with 3,5-Dimethyl-4-nitrophenol

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

Nitromesitylene603-71-466 % similar 3-Methyl-4-nitrophenol2581-34-261 % similar Nitrophloroglucinol16600-92-360 % similar 3,5-Dimethyl-4-nitrobenzoic acid3095-38-357 % similar 2,6-Dimethylnitrobenzene81-20-957 % similar 4-Methyl-3-nitrophenol2042-14-056 % similar 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-952 % similar 2,6-Dimethyl-4-nitrophenol2423-71-452 % similar

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

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook