2-(2,2-Diethyl-1-phenylbutoxy)carbonylbenzoic acid
Basic information
- CAS
5350-78-7- Standard SMILES
CCC(CC)(CC)C(OC(=O)c1ccccc1C(=O)O)c1ccccc1- InChIKey
WDBURNJRJIREPN-UHFFFAOYSA-N- Molecular formula
- C22H26O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.18310931
Names & identifiers
- Preferred name
- 2-(2,2-Diethyl-1-phenylbutoxy)carbonylbenzoic acid
- IUPAC
- 2-(2,2-diethyl-1-phenylbutoxy)carbonylbenzoic acid
Names & synonyms
5350-78-72-[(2,2-diethyl-1-phenylbutoxy)carbonyl]benzoic acid2-(2,2-diethyl-1-phenylbutoxy)carbonylbenzoic acidNSC65DTXSID60276946DS-015219PHTHALIC ACID,2-DIETHYL-1-PHENYLBUTYL ESTER
Database identifiers
- CAS
5350-78-7- PubChem CID
- 219152
- DTXSID
DTXSID60276946
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 454
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Compound notes
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