4-(Benzyloxy)-3-bromophenylacetic acid

C₁₅H₁₃BrO₃CAS 5884-48-0321.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₅H₁₃BrO₃
Molar mass: 321.17 g/mol
Exact mass: 320.0048 Da
logP: 3.66Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
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

5884-48-0

SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC(=O)O)Br

InChIKey

GQZFEKUVFZTZHM-UHFFFAOYSA-N

InChI

InChI=1S/C15H13BrO3/c16-13-8-12(9-15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)

Weigh it out

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

Names and synonyms

1 names

2-(3-Bromo-4-phenylmethoxyphenyl)acetic acid

Work with 4-(Benzyloxy)-3-bromophenylacetic acid

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-Bromo-4-methoxyphenylacetic acid774-81-264 % similar 4-Benzyloxyphenylacetic acid6547-53-160 % similar 2-(Benzyloxy)phenylacetic acid22047-88-759 % similar 3-Bromo-4-fluorophenylacetic acid194019-11-955 % similar 3-Bromo-4-hydroxyphenylacetic acid38692-80-755 % similar Isoxepac55453-87-754 % similar O-Bromophenoxyacetic acid1879-56-753 % similar 2,4-Dibromophenoxyacetic acid10129-78-953 % similar

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

Same formula

5-(Benzyloxy)-2-bromo-4-methoxybenzaldehyde6451-86-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook