Basic information
- CAS
35930-74-6- Standard SMILES
C/C=C/[C@@H]1C[C@H](O)c2cc(C)ccc2O1- InChIKey
VQTRDZXQXYYUPP-YGEYTSGZSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- Myrochromanol
- IUPAC
- (2S,4S)-6-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-chromen-4-ol
- English name
- (2S)-3,4-Dihydro-6-methyl-2α-[(E)-1-propenyl]-2H-1-benzopyran-4α-ol
- Molecular formula
- C13H16O2
- Molecular weight
- 204.27
Names & synonyms
Myrochromanol34338O8Y2HUNII-34338O8Y2H35930-74-6(2S,4S)-6-Methyl-2-((E)-prop-1-enyl)chroman-4-ol2H-1-Benzopyran-4-ol, 3,4-dihydro-6-methyl-2-(1E)-1-propenyl-, (2S,4S)-2H-1-Benzopyran-4-ol, 3,4-dihydro-6-methyl-2-(1-propenyl)-, (2S-(2alpha(E),4alpha))-2H-1-BENZOPYRAN-4-OL, 3,4-DIHYDRO-6-METHYL-2-(1-PROPENYL)-, (2S-(2.ALPHA.(E),4.ALPHA.))-(2S,4S)-6-methyl-2-((E)-prop-1-enyl)-3,4-dihydro-2H-chromen-4-ol(2S,4S)-6-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-chromen-4-olRefChem:160446Q27896932
Show more names
(2S)-3,4-Dihydro-6-methyl-2α-[(E)-1-propenyl]-2H-1-benzopyran-4α-ol
Database identifiers
- CAS
35930-74-6- PubChem CID
- 102428344
- UNII
- 34338O8Y2H
- Nikkaji
- J89.069C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 317.195 · 317.195±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.158 · 1.158±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.014 · 14.014±0.40(predicted)
- FDA UNII
- 34338 O8Y2H · 34338O8Y2H
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…