Guaiacol

C₇H₈O₂CAS 90-05-1124.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈O₂
Molar mass: 124.14 g/mol
Exact mass: 124.0524 Da
Density: 1.1287 g/mL (at 21 °C)
Melting point: 32 °C
Boiling point: 204–206 °C
logP: 1.40Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

90-05-1

SMILES

COc1ccccc1O

InChIKey

LHGVFZTZFXWLCP-UHFFFAOYSA-N

InChI

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

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Names and synonyms

16 names · show all

Phenol, 2-methoxy-
Pyrocatechol monomethyl ether
Methylcatechol
NSC 3815
2-Methoxyl-4-vinylphenol
Phenol, o-methoxy-
2-Methoxyphenol
o-Hydroxyanisole
o-Methoxyphenol
Pyroguaiac acid
2-Hydroxyanisole
1-Hydroxy-2-methoxybenzene
O-Methyl catechol
Anastil
Guaiastil
o-Guaiacol

Work with Guaiacol

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

2,3-Dimethoxyphenol5150-42-565 % similar 1,2-Dimethoxybenzene91-16-762 % similar 4-Methoxy-1-naphthol84-85-557 % similar 2-Hydroxy-6-methoxybenzaldehyde700-44-757 % similar Syringol91-10-156 % similar 2-Isopropoxyphenol4812-20-854 % similar 2-Methoxyhydroquinone824-46-454 % similar Tris(2-methoxyphenyl)phosphine4731-65-152 % 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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