2,4-Dihydroxy-6-propyl-benzoic acid methyl ester

C11H14O4CAS 55382-52-0210.23 g/mol

Open in Covalent MOL file
HOOHOO
EsterPhenol

Properties

Molecular formula
C11H14O4
Molar mass
210.23 g/mol
Exact mass
210.0892 Da
logP
1.84Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 25 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
55382-52-0
SMILES
CCCC1=C(C(=CC(=C1)O)O)C(=O)OC
InChIKey
AREDPURTHQTRTK-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O4/c1-3-4-7-5-8(12)6-9(13)10(7)11(14)15-2/h5-6,12-13H,3-4H2,1-2H3

Weigh it out

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Names and synonyms

1 names
  • Methyl 2,4-dihydroxy-6-propylbenzoate

Work with 2,4-Dihydroxy-6-propyl-benzoic acid methyl ester

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

Methyl olivetolate58016-28-783 % similar Methyl 2,4,6-trihydroxybenzoate3147-39-568 % similar Ethyl olivetolate38862-65-662 % similar Olivetolic acid491-72-553 % similar Methyl 2,4-dihydroxybenzoate2150-47-248 % similar Dimethyl 5-hydroxyisophthalate13036-02-746 % similar 3,5-Dihydroxybenzoic acid methyl ester2150-44-946 % similar Ethyl orsellinate2524-37-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-4 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-5 3',4',5'-Trimethoxyacetophenone1136-86-3 4-Ethoxy-3-methoxybenzeneacetic acid120-13-8 2',3',4'-Trimethoxyacetophenone13909-73-4 3-(3,4-Dimethoxyphenyl)propionic acid2107-70-2 2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-3 3,4-Diethoxybenzoic acid5409-31-4

Elsewhere

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