p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester
Basic information
- CAS
101077-10-5- Standard SMILES
C=CCOC(=O)c1c(C)c(CC=C)cc(C(C)C)c1O- InChIKey
DRJPJBHLGKEDDU-UHFFFAOYSA-N- Molecular formula
- C17H22O3
- Average molar mass
- 274.35 g/mol
- Monoisotopic mass
- 274.15689456
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester
- IUPAC
- prop-2-enyl 2-hydroxy-6-methyl-3-propan-2-yl-5-prop-2-enylbenzoate
Names & synonyms
BRN 2654962p-CYMENE-2-CARBOXYLIC ACID, 6-ALLYL-3-HYDROXY-, ALLYL ESTERAllyl 5-allyl-2-hydroxy-3-isopropyl-6-methylbenzoate6-Allyl-3-hydroxy-p-cymene-2-carboxylic acid allyl ester101077-10-5DTXSID70143711RefChem:367669DTXCID4066202prop-2-en-1-yl 2-hydroxy-6-methyl-3-(propan-2-yl)-5-(prop-2-en-1-yl)benzoate
Database identifiers
- CAS
101077-10-5- PubChem CID
- 58173
- DTXSID
DTXSID70143711- Nikkaji
- J85.286D
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
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Compound notes
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