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6-Methoxy-1-phenyl-tetralin-2-one

HCID 10243928
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Basic information

Standard SMILES
COc1ccc2c(c1)CCC(=O)C2c1ccccc1
InChIKey
ZBVOXALBAAUHLL-UHFFFAOYSA-N
Molecular formula
C17H16O2
Average molar mass
252.31 g/mol

Names & identifiers

Preferred name
6-Methoxy-1-phenyl-tetralin-2-one
IUPAC
6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one

Names & synonyms

SCHEMBL8097586-Methoxy-1-phenyl-3,4-dihydronaphthalen-2(1H)-oneZBVOXALBAAUHLL-UHFFFAOYSA-N6-methoxy-1-phenyl-tetralin-2-one6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalene-2-one6-methoxy-1-phenyl-3,4-dihydro-2(1H)-naphthalenone

Database identifiers

PubChem CID
10243928
Nikkaji
J3.478.081A

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
319

Related reactions

2 records
New reaction record
HRID 13684 reaction equation
HRID 13684As productuspto-grants-2010_06
HRID 2340024 reaction equation
HRID 2340024As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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