Basic information
- CAS
128596-01-0- Standard SMILES
CCCCCCCc1ccc(C(=O)c2ccc(CCCCC(=O)O)cc2)cc1- InChIKey
IHFQGEDFEXGPFR-UHFFFAOYSA-N- Molecular formula
- C25H32O3
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.23514488
Overview
structure given in first source
Names & identifiers
- Preferred name
- Benzophenone-4'-heptyl-4-pentanoic acid
- IUPAC
- 5-[4-(4-heptylbenzoyl)phenyl]pentanoic acid
- English name
- benzophenone-4'-heptyl-4-pentanoic acid
- Molecular formula
- C25H32O3
- Molecular weight
- 380.51978
Names & synonyms
BHPA128596-01-0Benzophenone-4'-heptyl-4-pentanoic acidDTXSID80155946RefChem:118529DTXCID20784375-[4-(4-heptylbenzoyl)phenyl]pentanoic acidSCHEMBL30755519
Database identifiers
- CAS
128596-01-0- PubChem CID
- 195579
- DTXSID
DTXSID80155946- Nikkaji
- J2.421.183E
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 443
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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