4-Methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl ester

C₁₆H₁₆O₄CAS 87932-34-1272.30 g/mol

Open in Covalent MOL file

Ester Ether Phenol

Properties

Molecular formula: C₁₆H₁₆O₄
Molar mass: 272.30 g/mol
Exact mass: 272.1049 Da
logP: 2.80Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

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

87932-34-1

SMILES

COC1=CC=C(C=C1)C(=O)OCCC2=CC=C(C=C2)O

InChIKey

DSMAYKYXHOGICG-UHFFFAOYSA-N

InChI

InChI=1S/C16H16O4/c1-19-15-8-4-13(5-9-15)16(18)20-11-10-12-2-6-14(17)7-3-12/h2-9,17H,10-11H2,1H3

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Names and synonyms

1 names

2-(4-Hydroxyphenyl)ethyl 4-methoxybenzoate

Work with 4-Methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl 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

Propylparaben94-13-359 % similar Ethyl 4-methoxybenzoate94-30-456 % similar Butylparaben94-26-856 % similar Pentyl p-hydroxybenzoate6521-29-555 % similar Ethylparaben120-47-854 % similar Isobutylparaben4247-02-353 % similar Hexyl 4-hydroxybenzoate1083-27-853 % similar Heptylparaben1085-12-753 % similar

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

Same formula

Loureirin C116384-24-8 4,4'-Dimethoxybenzoin119-52-8 2-Benzyloxy-4,5-dimethoxybenzaldehyde14382-86-6 Deoxyshikonin43043-74-9 3′-Hydroxypterostilbene475231-21-1

Elsewhere

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