Methyl 3-[5-(4-cyclopentyloxy-2-hydroxybenzoyl)-2-hydroxyphenyl]propanoate
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Basic information
- CAS
530141-60-7- Standard SMILES
COC(=O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1O- InChIKey
HBFILVKKGPVVEW-UHFFFAOYSA-N- Molecular formula
- C22H24O6
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.15728848
Names & identifiers
- Preferred name
- Methyl 3-[5-(4-cyclopentyloxy-2-hydroxybenzoyl)-2-hydroxyphenyl]propanoate
- IUPAC
- methyl 3-[5-(4-cyclopentyloxy-2-hydroxybenzoyl)-2-hydroxyphenyl]propanoate
- English name
- Benzenepropanoic acid, 5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-hydroxy-, Methyl ester
- Molecular formula
- C22H24O6
- Molecular weight
- 384.42
Names & synonyms
SCHEMBL1100403Benzenepropanoic acid, 5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-hydroxy-, Methyl ester
Database identifiers
- CAS
530141-60-7- PubChem CID
- 23021528
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
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Compound notes
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