8-((2S)-2,3-Dihydroxy-3-methylbutyl)-7-methoxychromen-2-one

C15H18O5CAS 5875-49-0278.30 g/mol

Open in Covalent MOL file
OOOOHHO
AlcoholEther

Properties

Molecular formula
C15H18O5
Molar mass
278.30 g/mol
Exact mass
278.1154 Da
logP
1.48Crippen estimate
Polar surface area
79.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

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
5875-49-0
SMILES
CC(C)([C@H](CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O
InChIKey
KGGUASRIGLRPAX-LBPRGKRZSA-N
InChI
InChI=1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3/t12-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • (-)-8-[(S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one

Work with 8-((2S)-2,3-Dihydroxy-3-methylbutyl)-7-methoxychromen-2-one

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

(+)-Columbianetin3804-70-465 % similar Meranzin23971-42-863 % similar 6-((2R)-2,3-Dihydroxy-3-methylbutyl)-5,7-dimethoxy-2H-1-benzopyran-2-one483-90-961 % similar Osthol484-12-854 % similar (+)-Heraclenol31575-93-649 % similar Murrayone19668-69-047 % similar Columbianetin acetate23180-65-645 % similar Marmesin13849-08-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ulopterol28095-18-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook