2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione
Basic information
- CAS
55776-43-7- Standard SMILES
COc1cc(C=C2C(=O)C=CC2=O)ccc1O- InChIKey
ANRJXDLUSYOZDU-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione
- IUPAC
- 2-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
- English name
- 2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione
- Molecular formula
- C13H10O4
- Molecular weight
- 230.22
Names & synonyms
55776-43-7Khi-2012-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dioneRefChem:84139MLS003389314Khi 2014-Cyclopentene-1,3-dione, 2-((4-hydroxy-3-methoxyphenyl)methylene)-CHEMBL2133790DTXSID509711502-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclopent-4-ene-1,3-dioneNSC239309NSC 239309
Show more names
4-Cyclopentene-1,3-dione, 2-[(4-hydroxy-3-methoxyphenyl)methylene]-
NSC-239309SMR002048969
Database identifiers
- CAS
55776-43-7- PubChem CID
- 99844
- DTXSID
DTXSID50971150- ChEMBL
CHEMBL2133790
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 374
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Compound notes
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