5-[(2,4-Dichlorophenyl)methoxy]-3-hydroxynaphthalene-2-carboxylic acid
Basic information
- CAS
36947-10-1- Standard SMILES
O=C(O)c1cc2cccc(OCc3ccc(Cl)cc3Cl)c2cc1O- InChIKey
ACISDNBPTNWRBE-UHFFFAOYSA-N- Molecular formula
- C18H12Cl2O4
- Average molar mass
- 363.2 g/mol
- Monoisotopic mass
- 362.0112642
Names & identifiers
- Preferred name
- 5-[(2,4-Dichlorophenyl)methoxy]-3-hydroxynaphthalene-2-carboxylic acid
- IUPAC
- 5-[(2,4-dichlorophenyl)methoxy]-3-hydroxynaphthalene-2-carboxylic acid
Names & synonyms
36947-10-1NSC3100275-[(2,4-dichlorophenyl)methoxy]-3-hydroxynaphthalene-2-carboxylic acidSCHEMBL10390654DTXSID00317004NSC-310027DS-0056285-[(2,4-dichlorophenyl)methoxy]-3-hydroxy-naphthalene-2-carboxylic acid
Database identifiers
- CAS
36947-10-1- PubChem CID
- 329016
- DTXSID
DTXSID00317004
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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