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6-(Methyloxy)-3-(2-methylpropyl)-2-phenyl-1-naphthalenol

HCID 68540927
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc2c(O)c(-c3ccccc3)c(CC(C)C)cc2c1
InChIKey
QFITUIWIDWYWDV-UHFFFAOYSA-N
Molecular formula
C21H22O2
Average molar mass
306.4 g/mol

Names & identifiers

Preferred name
6-(Methyloxy)-3-(2-methylpropyl)-2-phenyl-1-naphthalenol
IUPAC
6-methoxy-3-(2-methylpropyl)-2-phenylnaphthalen-1-ol

Names & synonyms

SCHEMBL3182854QFITUIWIDWYWDV-UHFFFAOYSA-N6-(Methyloxy)-3-(2-methylpropyl)-2-phenyl-1-naphthalenol

Database identifiers

PubChem CID
68540927

Properties

Computed structural properties

XLogP
6
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
361

Related reactions

3 records
New reaction record
HRID 138318 reaction equation
HRID 138318As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1992890 reaction equation
HRID 1992890As productuspto-grants-2010_01
HRID 1992891 reaction equation
HRID 1992891As reactantuspto-grants-2010_01

Compound notes

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