3,5-Dihydroxyphenyl 3-(4-methoxyphenyl)acrylate
Basic information
- CAS
25528-10-3- Standard SMILES
COc1ccc(C=CC(=O)Oc2cc(O)cc(O)c2)cc1- InChIKey
MFSAWRZYKSSGKY-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Names & identifiers
- Preferred name
- 3,5-Dihydroxyphenyl 3-(4-methoxyphenyl)acrylate
- IUPAC
- (3,5-dihydroxyphenyl) 3-(4-methoxyphenyl)prop-2-enoate
Names & synonyms
25528-10-33,5-Dihydroxyphenyl 3-(4-methoxyphenyl)acrylateNSC 175296(3,5-dihydroxyphenyl) 3-(4-methoxyphenyl)prop-2-enoateNCIMech_000165SCHEMBL29891276NCI60_001434PD028070
Database identifiers
- CAS
25528-10-3- PubChem CID
- 300528
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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