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6-[(4-Hydroxyphenyl)amino]-2-naphthalenol

HCID 14499208
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Oc1ccc(Nc2ccc3cc(O)ccc3c2)cc1
InChIKey
BFMCTWWYTNOZEI-UHFFFAOYSA-N
Molecular formula
C16H13NO2
Average molar mass
251.28 g/mol
Monoisotopic mass
251.09462866

Names & identifiers

Preferred name
6-[(4-Hydroxyphenyl)amino]-2-naphthalenol
IUPAC
6-(4-hydroxyanilino)naphthalen-2-ol

Names & synonyms

SCHEMBL9702097BFMCTWWYTNOZEI-UHFFFAOYSA-N6-[(4-Hydroxyphenyl)amino]-2-naphthalenol

Database identifiers

PubChem CID
14499208

Properties

Computed structural properties

XLogP
4
Topological polar surface area
52.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
288

Related reactions

6 records
New reaction record
HRID 160206 reaction equation
HRID 160206As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 947264 reaction equation
HRID 947264As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1165491 reaction equation
HRID 1165491As productuspto-grants-1990_03
HRID 1165500 reaction equation
HRID 1165500As reactantuspto-grants-1990_03
HRID 1194499 reaction equation
HRID 1194499As productuspto-grants-1989_03
HRID 1194508 reaction equation
HRID 1194508As reactantuspto-grants-1989_03

Compound notes

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