4-(Benzyloxy)phenyl butyrate
Basic information
- CAS
6638-15-9- Standard SMILES
CCCC(=O)Oc1ccc(OCc2ccccc2)cc1- InChIKey
ZOEUZNCAWXZTMB-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 4-(Benzyloxy)phenyl butyrate
- IUPAC
- (4-phenylmethoxyphenyl) butanoate
Names & synonyms
4-(benzyloxy)phenyl butyrate6638-15-9Butyric acid 4-benzyloxy-phenyl esterButyric acid, 4-benzyloxyphenyl ester4-(benzyloxy)phenyl butanoateNSC47914Oprea1_296993Oprea1_488971SCHEMBL3111562DTXSID40286821ZOEUZNCAWXZTMB-UHFFFAOYSA-NNSC-47914
Show more names
AKOS002954188
Database identifiers
- CAS
6638-15-9- PubChem CID
- 240935
- DTXSID
DTXSID40286821
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 276
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
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Compound notes
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