2-Chloro-4-(2,5-dimethoxyphenyl)-4-hydroxynaphthalen-1(4H)-one
Basic information
- CAS
84159-85-3- Standard SMILES
COc1ccc(OC)c(C2(O)C=C(Cl)C(=O)c3ccccc32)c1- InChIKey
DZRZZPZAKMISHS-UHFFFAOYSA-N- Molecular formula
- C18H15ClO4
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.0658866
Names & identifiers
- Preferred name
- 2-Chloro-4-(2,5-dimethoxyphenyl)-4-hydroxynaphthalen-1(4H)-one
- IUPAC
- 2-chloro-4-(2,5-dimethoxyphenyl)-4-hydroxynaphthalen-1-one
Names & synonyms
84159-85-3DTXSID703131992-Chloro-4-(2,5-dimethoxyphenyl)-4-hydroxynaphthalen-1(4H)-oneRefChem:258670DTXCID602643232-chloro-4-(2,5-dimethoxyphenyl)-4-hydroxy-naphthalen-1-oneNSC267327NSC-267327DS-013113
Database identifiers
- CAS
84159-85-3- PubChem CID
- 320309
- DTXSID
DTXSID70313199
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
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Compound notes
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