4-Ethylphenyl butyrate
Basic information
- CAS
94087-47-5- Standard SMILES
CCCC(=O)Oc1ccc(CC)cc1- InChIKey
LJJIVMPTNVPYMN-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 4-Ethylphenyl butyrate
- IUPAC
- (4-ethylphenyl) butanoate
- English name
- 4-ethylphenyl butyrate
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25424
Names & synonyms
4-Ethylphenyl butyrate94087-47-54-ETHYLPHENYL BUTANOATENSC6710EINECS 301-938-6SCHEMBL27734175DTXSID80240427Butanoic acid,4-ethylphenyl esterLJJIVMPTNVPYMN-UHFFFAOYSA-NNSC 6710NSC-6710DS-007369
Show more names
Butanoic acid 4-ethylphenyl ester
NS00039978
Database identifiers
- CAS
94087-47-5- PubChem CID
- 94887
- DTXSID
DTXSID80240427- EC Number
- 301-938-6
- Nikkaji
- J368.053C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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