Dimethyl 5-hydroxyisophthalate

C₁₀H₁₀O₅CAS 13036-02-7210.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀O₅
Molar mass: 210.18 g/mol
Exact mass: 210.0528 Da
Melting point: 163–165 °C
logP: 0.97Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 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

13036-02-7

SMILES

COC(=O)c1cc(O)cc(C(=O)OC)c1

InChIKey

DOSDTCPDBPRFHQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

1,3-Benzenedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester
Isophthalic acid, 5-hydroxy-, dimethyl ester
1,3-Benzenedicarboxylic acid, 5-hydroxy-, dimethyl ester
5-Hydroxyisophthalic acid dimethyl ester
1-Hydroxy-3,5-bis(methoxycarbonyl)benzene
3,5-Bis(methoxycarbonyl)phenol
Dimethyl 5-hydroxy-1,3-benzenedicarboxylate
1,3-Dimethyl 5-hydroxybenzene-1,3-dicarboxylate

Work with Dimethyl 5-hydroxyisophthalate

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

3,5-Dihydroxybenzoic acid methyl ester2150-44-992 % similar Methyl 5-bromo-3-hydroxybenzoate192810-12-177 % similar Trimethyl benzene-1,3,5-tricarboxylate2672-58-475 % similar Methyl 3-amino-5-hydroxybenzoate67973-80-274 % similar Methyl 3-hydroxybenzoate19438-10-968 % similar Methyl 5-hydroxypyridine-3-carboxylate30766-22-466 % similar Methylparaben99-76-366 % similar Dimethyl 5-bromoisophthalate51760-21-562 % similar

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

Same formula

2,4-Diacetylphloroglucinol2161-86-6 Dimethyl 4-hydroxyphthalate22479-95-4 6-Formyl-2,3-dimethoxybenzoic acid519-05-1 2-Carboxymethyl-5-methoxy-benzoic acid52962-25-1 4-Hydroxyisophthalic acid dimethyl ester5985-24-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook