(4-Aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone
Basic information
- CAS
352553-08-3- Standard SMILES
COc1ccc2occ(C(=O)c3ccc(N)cc3)c2c1- InChIKey
KQPULNJLZBFNAQ-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- (4-Aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone
- IUPAC
- (4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone
Names & synonyms
(4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone352553-08-3MLS001163766(4-aminophenyl)(5-methoxy-1-benzofuran-3-yl)methanoneSMR000539215Cambridge id 5917888Oprea1_393103cid_877208CHEMBL1379873BDBM69705DTXSID601327881HMS2873I13
Show more names
SMSF0009277STL036486AKOS005647350CB00949AB00100751-01AH-262/33701030SR-01000223241(4-aminophenyl)(5-methoxybenzofuran-3-yl)methanone
Database identifiers
- CAS
352553-08-3- PubChem CID
- 877208
- DTXSID
DTXSID601327881- ChEMBL
CHEMBL1379873
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Solubility1.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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