4,2-Cresotic acid, 6-methoxy-, bimol. ester, methyl ester, 4,6-dimethoxy-o-toluate
Basic information
- CAS
19314-74-0- Standard SMILES
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(OC)cc3OC)cc2OC)cc1OC- InChIKey
GCXGSDCSYJCRIZ-UHFFFAOYSA-N- Molecular formula
- C29H30O10
- Average molar mass
- 538.5 g/mol
- Monoisotopic mass
- 538.18389715
Names & identifiers
- Preferred name
- 4,2-Cresotic acid, 6-methoxy-, bimol. ester, methyl ester, 4,6-dimethoxy-o-toluate
- IUPAC
- [3-methoxy-4-(3-methoxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenyl] 2,4-dimethoxy-6-methylbenzoate
- English name
- 4-[(2,4-Dimethoxy-6-methylbenzoyl)oxy]-2-methoxy-6-methylbenzoic acid 3-methoxy-4-(methoxycarbonyl)-5-methylphenyl ester
- Molecular formula
- C29H30O10
- Molecular weight
- 538.54
Names & synonyms
19314-74-04,2-Cresotic acid, 6-methoxy-, bimol. ester, methyl ester, 4,6-dimethoxy-o-toluateRefChem:284384GCXGSDCSYJCRIZ-UHFFFAOYSA-N[3-methoxy-4-(3-methoxy-4-methoxycarbonyl-5-methylphenoxy)carbonyl-5-methylphenyl] 2,4-dimethoxy-6-methylbenzoateDTXSID509409874-[(2,4-Dimethoxy-6-methylbenzoyl)oxy]-2-methoxy-6-methylbenzoic acid 3-methoxy-4-(methoxycarbonyl)-3-Methoxy-4-(methoxycarbonyl)-5-methylphenyl 4-[(2,4-dimethoxy-6-methylbenzoyl)oxy]-2-methoxy-6-methylbenzoate #3-Methoxy-4-{[3-methoxy-4-(methoxycarbonyl)-5-methylphenoxy]carbonyl}-5-methylphenyl 2,4-dimethoxy-6-methylbenzoate4-[(2,4-Dimethoxy-6-methylbenzoyl)oxy]-2-methoxy-6-methylbenzoic acid 3-methoxy-4-(methoxycarbonyl)-5-methylphenyl esterBenzoic acid, 4-[(2,4-dimethoxy-6-methylbenzoyl)oxy]-2-methoxy-6-methyl-, 3-methoxy-4-(methoxycarbonyl)-5-methylphenyl ester
Database identifiers
- CAS
19314-74-0- PubChem CID
- 29538
- DTXSID
DTXSID50940987
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 833
Physicochemical properties
- Melting point
- 195 °C · 195 °C
- Boiling point
- 692.2 · 692.2±55.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…