Basic information
- CAS
74316-94-2- Standard SMILES
CCCCOc1cccc(C2(C(=O)O)CCCC2)c1- InChIKey
BMLFANTYXLEGAZ-UHFFFAOYSA-N- Molecular formula
- C16H22O3
- Average molar mass
- 262.34 g/mol
- Monoisotopic mass
- 262.15689456
Names & identifiers
- Preferred name
- 1-(3-Butoxyphenyl)cyclopentanecarboxylic acid
- IUPAC
- 1-(3-butoxyphenyl)cyclopentane-1-carboxylic acid
Names & synonyms
1-(3-Butoxyphenyl)cyclopentanecarboxylic acid74316-94-2DTXSID20344195RefChem:224260DTXCID80295270BMLFANTYXLEGAZ-UHFFFAOYSA-N1-(3-butoxyphenyl)cyclopentane-1-carboxylic acidMFCD00431948HMS2292H17Cambridge id 5238076MLS000104646SCHEMBL4606853
Show more names
CHEMBL1363209AKOS000545211SMR000054579ST061280AB00076289-01
Database identifiers
- CAS
74316-94-2- PubChem CID
- 595010
- DTXSID
DTXSID20344195- ChEMBL
CHEMBL1363209
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…