1,3-Benzenediol, 4-[(1-naphthalenylimino)methyl]-
Basic information
- CAS
113800-82-1- Standard SMILES
Oc1ccc(C=Nc2cccc3ccccc23)c(O)c1- InChIKey
RJBRMIUDYFYKSS-UHFFFAOYSA-N- Molecular formula
- C17H13NO2
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.09462866
Names & identifiers
- Preferred name
- 1,3-Benzenediol, 4-[(1-naphthalenylimino)methyl]-
- IUPAC
- 4-(naphthalen-1-yliminomethyl)benzene-1,3-diol
Names & synonyms
113800-82-11,3-Benzenediol, 4-[(1-naphthalenylimino)methyl]-CHEMBL21781074-[(1-naphthylimino)methyl]-1,3-benzenediol4-(naphthalen-1-yliminomethyl)benzene-1,3-diol4-(Naphthalen-1-yliminomethyl)-benzene-1,3-diolMLS001212217DTXSID40425273BDBM50398646STK095422AKOS000485255SMR000514713
Show more names
ST45032093N-(2,4-dihydroxybenzylidene)-1-naphthylamineAG-690/33049056SR-010003173714-((1E)-2-naphthyl-2-azavinyl)benzene-1,3-diolSR-01000317371-14-[(E)-(naphthalen-1-ylimino)methyl]benzene-1,3-diol3-Hydroxy-4-{[(naphthalen-1-yl)amino]methylidene}cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
113800-82-1- PubChem CID
- 831397
- DTXSID
DTXSID40425273- ChEMBL
CHEMBL2178107
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
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Compound notes
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