chempirical

Mg149

C22H28O3CAS 1243583-85-8340.46 g/mol

Open in Covalent MOL file
OHOHO
Carboxylic acidPhenol

Properties

Molecular formula
C22H28O3
Molar mass
340.46 g/mol
Exact mass
340.2038 Da
logP
5.39Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
10

Identifiers

CAS number
1243583-85-8
SMILES
CCCCCCCC1=CC=C(C=C1)CCC2=C(C(=CC=C2)O)C(=O)O
InChIKey
WBHQYBZRTAEHRR-UHFFFAOYSA-N
InChI
InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)

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Work with Mg149

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

6-Pentadecylsalicylic acid16611-84-088 % similar Ginkgoneolic acid20261-38-588 % similar Ginkgolic acid ii111047-30-476 % similar Ginkgolic acid22910-60-776 % similar 4-Hexylbenzoic acid21643-38-958 % similar 4-Octylbenzoic acid3575-31-358 % similar 4-Heptylbenzoic acid38350-87-758 % similar Olivetolic acid491-72-556 % similar

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

Same formula

Norethisterone acetate51-98-9 Canrenone976-71-6

Elsewhere

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