2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one

C16H15NO2 — CID 23150388

IUPAC2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1ONc1ccccc1
InChIInChI=1S/C16H15NO2/c18-16-14-9-5-4-6-12(14)10-11-15(16)19-17-13-7-2-1-3-8-13/h1-9,15,17H,10-11H2
InChIKeyAQFWMWJJAUHVDT-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.23
Rot. Bonds3

About 2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one

2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 23150388) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID23150388
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1ONc1ccccc1
InChIInChI=1S/C16H15NO2/c18-16-14-9-5-4-6-12(14)10-11-15(16)19-17-13-7-2-1-3-8-13/h1-9,15,17H,10-11H2
InChIKeyAQFWMWJJAUHVDT-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one (CID 23150388) is 2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1ONc1ccccc1.
What is the InChIKey of 2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is AQFWMWJJAUHVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16-14-9-5-4-6-12(14)10-11-15(16)19-17-13-7-2-1-3-8-13/h1-9,15,17H,10-11H2.
What are the key properties of 2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one?
2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinooxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 23150388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).