chempirical

Orcinol

C7H8O2CAS 504-15-4124.14 g/mol

Open in Covalent MOL file
OHHO
Phenol

Properties

Molecular formula
C7H8O2
Molar mass
124.14 g/mol
Exact mass
124.0524 Da
Melting point
107.5 °C
Boiling point
289.5 °C
logP
1.41Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
504-15-4
SMILES
Cc1cc(O)cc(O)c1
InChIKey
OIPPWFOQEKKFEE-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3

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Names and synonyms

11 names
  • 1,3-Benzenediol, 5-methyl-
  • Resorcinol, 5-methyl-
  • 5-Methyl-1,3-benzenediol
  • 1,3-Dihydroxy-5-methylbenzene
  • 3,5-Dihydroxytoluene
  • 5-Methylresorcinol
  • Orcin
  • 3-Hydroxy-5-methylphenol
  • 5-Methyl-1,3-dihydroxybenzene
  • 1,5-Dihydroxy-3-methylbenzene
  • NSC 12441

Work with Orcinol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dimethylphenol108-68-988 % similar 3-Fluoro-5-methylphenol216976-31-767 % similar Phloroglucinol108-73-660 % similar 3-Isopropyl-5-methylphenol3228-03-358 % similar M-Cresol108-39-455 % similar P-Cresol106-44-550 % similar Mesitylene108-67-850 % similar 1,3,5-Benzenetriol, hydrate (1:2)6099-90-750 % similar

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

Same formula

2,6-Dimethyl-γ-pyrone1004-36-0 2-Acetyl-5-methylfuran1193-79-9 3-Methoxyphenol150-19-6 4-Methoxyphenol150-76-5 5-Ethyl-2-furaldehyde23074-10-4 (3Ar,6as)-3,3A,6,6A-tetrahydro-2H-cyclopenta[B]furan-2-one43119-28-4 4-Methylcatechol452-86-8 2,5-Cyclohexadiene-1-carboxylic acid4794-04-1

Elsewhere

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