6-benzoylnaphthalene-2-carbaldehyde

C18H12O2 — CID 160521224

IUPAC6-benzoylnaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(C(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C18H12O2/c19-12-13-6-7-16-11-17(9-8-15(16)10-13)18(20)14-4-2-1-3-5-14/h1-12H
InChIKeyQUHFOKRSRRNAAD-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.88
Rot. Bonds3

About 6-benzoylnaphthalene-2-carbaldehyde

6-benzoylnaphthalene-2-carbaldehyde (PubChem CID 160521224) has the molecular formula C18H12O2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-benzoylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-benzoylnaphthalene-2-carbaldehyde
PubChem CID160521224
Molecular FormulaC18H12O2
Molecular Weight260.29 g/mol
Exact Mass260.08
IUPAC Name6-benzoylnaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(C(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C18H12O2/c19-12-13-6-7-16-11-17(9-8-15(16)10-13)18(20)14-4-2-1-3-5-14/h1-12H
InChIKeyQUHFOKRSRRNAAD-UHFFFAOYSA-N
XLogP3.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-benzoylnaphthalene-2-carbaldehyde?
The IUPAC name of 6-benzoylnaphthalene-2-carbaldehyde (CID 160521224) is 6-benzoylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-benzoylnaphthalene-2-carbaldehyde?
The canonical SMILES for 6-benzoylnaphthalene-2-carbaldehyde is O=Cc1ccc2cc(C(=O)c3ccccc3)ccc2c1.
What is the InChIKey of 6-benzoylnaphthalene-2-carbaldehyde?
The InChIKey is QUHFOKRSRRNAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2/c19-12-13-6-7-16-11-17(9-8-15(16)10-13)18(20)14-4-2-1-3-5-14/h1-12H.
What are the key properties of 6-benzoylnaphthalene-2-carbaldehyde?
6-benzoylnaphthalene-2-carbaldehyde has a molecular weight of 260.29 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 160521224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).