Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate
Basic information
- CAS
100347-68-0- Standard SMILES
C=CCc1cc(C(=O)OCC)cc(CCC)c1O- InChIKey
HGBSODFOTQNLSP-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate
- IUPAC
- ethyl 4-hydroxy-3-prop-2-enyl-5-propylbenzoate
Names & synonyms
BENZOIC ACID, 3-ALLYL-4-HYDROXY-5-PROPYL-, ETHYL ESTER100347-68-0DTXSID10143215RefChem:1084941DTXCID7065706Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoateBRN 26524793-Allyl-4-hydroxy-5-propylbenzoic acid ethyl esterEthyl 3-allyl-4-hydroxy-5-propylbenzoateethyl 4-hydroxy-3-(prop-2-en-1-yl)-5-propylbenzoate
Database identifiers
- CAS
100347-68-0- PubChem CID
- 57808
- DTXSID
DTXSID10143215- Nikkaji
- J73.799B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
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Compound notes
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