Basic information
- CAS
84-13-9- Standard SMILES
CCC(=O)Oc1ccc(C(CC)C(CC)c2ccc(OC(=O)CC)c(C)c2)cc1C- InChIKey
ORHVFDBDWJTZIN-UHFFFAOYSA-N- Molecular formula
- C26H34O4
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.24570956
Overview
Methestrol dipropionate is a stilbenoid.
Names & identifiers
- Preferred name
- Methestrol dipropionate
- IUPAC
- [2-methyl-4-[4-(3-methyl-4-propanoyloxyphenyl)hexan-3-yl]phenyl] propanoate
- English name
- [2-methyl-4-[4-(3-methyl-4-propanoyloxy-phenyl)hexan-3-yl]phenyl] propanoate
- Molecular formula
- C26H34O4
- Molecular weight
- 410.55
Names & synonyms
methestrol dipropionatePROMETHESTROL DIPROPIONATEUNII-X84U53950PX84U53950PDTXSID701016740METHESTROL DIPROPIONATE [MI]PHENOL, 4,4'-(1,2-DIETHYL-1,2-ETHANEDIYL)BIS(2-METHYL-, DIPROPANOATEPhenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis[2-methyl-, dipropanoateRefChem:201657DTXCID101474924Meprane dipropionate84-13-9
Show more names
Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis[2-methyl-, dipropanoate (9CI)[2-methyl-4-[4-(3-methyl-4-propanoyloxy-phenyl)hexan-3-yl]phenyl] propanoate
[2-methyl-4-[4-(3-methyl-4-propanoyloxyphenyl)hexan-3-yl]phenyl] propanoateSCHEMBL8160726CHEBI:1356643,4-Bis(m-methyl-p-propionoxyphenyl)hexanQ25091466(Hexane-3,4-diyl)bis(2-methyl-4,1-phenylene) dipropanoate
Database identifiers
- CAS
84-13-9- PubChem CID
- 6765
- DTXSID
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Boiling point
- 486.2 · 486.2±45.0 °C(Predicted)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- FDA UNII
- 84 U53950P · X84U53950P
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Methestrol dipropionate is a stilbenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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