4-Propylresorcinol

C9H12O2CAS 18979-60-7152.19 g/mol

Open in Covalent MOL file
OHHO
Phenol

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Melting point
82.5 °C
logP
2.05Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
18979-60-7
SMILES
CCCc1ccc(O)cc1O
InChIKey
DJDHQJFHXLBJNF-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-2-3-7-4-5-8(10)6-9(7)11/h4-6,10-11H,2-3H2,1H3

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Names and synonyms

5 names
  • 1,3-Benzenediol, 4-propyl-
  • Resorcinol, 4-propyl-
  • 4-Propyl-1,3-benzenediol
  • 4-n-Propylresorcinol
  • 6-Propylresorcinol

Work with 4-Propylresorcinol

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

4-Butylresorcinol18979-61-879 % similar Hexylresorcinol136-77-674 % similar 4-Dodecylresorcinol24305-56-474 % similar 4-Ethylresorcinol2896-60-868 % similar 2-Propylphenol644-35-962 % similar 4-Propylphenol645-56-752 % similar Amylmetacresol1300-94-350 % similar 6-Propyl-2-naphthol2776-56-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 Benzaldehyde dimethyl acetal1125-88-8 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 Bicyclo[3.3.1]nonane-2,6-dione16473-11-3 (R)-(-)-2-Methoxy-2-phenylethanol17628-72-7

Elsewhere

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