Orcinol monohydrate

C₇H₁₀O₃CAS 6153-39-5142.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀O₃
Molar mass: 142.15 g/mol
Exact mass: 142.0630 Da
logP: 0.58Crippen estimate
Polar surface area: 72.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

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

6153-39-5

SMILES

CC1=CC(=CC(=C1)O)O.O

InChIKey

NBKPNAMTHBIMLA-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O2.H2O/c1-5-2-6(8)4-7(9)3-5;/h2-4,8-9H,1H3;1H2

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Names and synonyms

1 names

Resorcinol, 5-methyl-, monohydrate

Work with Orcinol monohydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Orcinol504-15-4Anhydrous

Similar compounds

3,5-Dimethylphenol108-68-974 % similar 1,3,5-Benzenetriol, hydrate (1:2)6099-90-767 % similar 3-Fluoro-5-methylphenol216976-31-758 % similar 3-Methoxy-5-methylphenol3209-13-052 % similar 3-Isopropyl-5-methylphenol3228-03-352 % similar Phloroglucinol108-73-650 % similar M-Cresol108-39-448 % similar 3-Hydroxy-5-methylpyridine42732-49-046 % similar

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

Same formula

Methyl 2-oxocyclopentanecarboxylate10472-24-9 Glycidyl methacrylate106-91-2 Allyl acetoacetate1118-84-9 4-(Acetyloxy)-2-methyl-2-butenal14918-80-0 Ethyl 3-oxopent-4-enoate22418-80-0 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-6 Homofuraneol27538-10-9 2,2-Dimethylglutaric anhydride2938-48-9

Elsewhere

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