4-[4-(Heptyloxy)phenyl]-4-oxobutanoic acid
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Basic information
- CAS
143134-89-8- Standard SMILES
CCCCCCCOc1ccc(C(=O)CCC(=O)O)cc1- InChIKey
GRIATMKAFYNTBG-UHFFFAOYSA-N- Molecular formula
- C17H24O4
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.16745924
Names & identifiers
- Preferred name
- 4-[4-(Heptyloxy)phenyl]-4-oxobutanoic acid
- IUPAC
- 4-(4-heptoxyphenyl)-4-oxobutanoic acid
- English name
- 4-[4-(HEPTYLOXY)PHENYL]-4-OXOBUTANOIC ACID
- Molecular formula
- C17H24O4
- Molecular weight
- 292.37
Names & synonyms
143134-89-84-[4-(heptyloxy)phenyl]-4-oxobutanoic acid4-(4-(Heptyloxy)phenyl)-4-oxobutanoic acid4-(4-heptyloxyphenyl)-4-oxobutyric acid4-(4-heptoxyphenyl)-4-oxobutanoic acidMFCD001006624-(4-heptoxyphenyl)-4-oxo-butanoic AcidSCHEMBL8754682CHEMBL4569488DTXSID50384281GRIATMKAFYNTBG-UHFFFAOYSA-N3-(4-heptyloxybenzoyl)propionic acid
Show more names
3-(4-N-HEPTYLOXYBENZOYL)PROPIONIC ACIDBenzenebutanoic acid, 4-(heptyloxy)-γ-oxo-
AKOS0160228674-(4-heptyloxyphenyl)-4-oxobutanoic acid4-(4-(Heptyloxy)phenyl)-4-oxobutanoicacidST50976591F207407
Database identifiers
- CAS
143134-89-8- PubChem CID
- 2801593
- DTXSID
DTXSID50384281- ChEMBL
CHEMBL4569488
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 306
Related reactions
1 records
Compound notes
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