naphthalen-2-yl(oxan-4-yl)methanone

C16H16O2 — CID 63936878

IUPACnaphthalen-2-yl(oxan-4-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)C1CCOCC1
InChIInChI=1S/C16H16O2/c17-16(13-7-9-18-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13H,7-10H2
InChIKeyAQVGFYODMAXCDZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.45
Rot. Bonds2

About naphthalen-2-yl(oxan-4-yl)methanone

naphthalen-2-yl(oxan-4-yl)methanone (PubChem CID 63936878) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is naphthalen-2-yl(oxan-4-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl(oxan-4-yl)methanone
PubChem CID63936878
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namenaphthalen-2-yl(oxan-4-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)C1CCOCC1
InChIInChI=1S/C16H16O2/c17-16(13-7-9-18-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13H,7-10H2
InChIKeyAQVGFYODMAXCDZ-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl(oxan-4-yl)methanone?
The IUPAC name of naphthalen-2-yl(oxan-4-yl)methanone (CID 63936878) is naphthalen-2-yl(oxan-4-yl)methanone.
What is the SMILES notation for naphthalen-2-yl(oxan-4-yl)methanone?
The canonical SMILES for naphthalen-2-yl(oxan-4-yl)methanone is O=C(c1ccc2ccccc2c1)C1CCOCC1.
What is the InChIKey of naphthalen-2-yl(oxan-4-yl)methanone?
The InChIKey is AQVGFYODMAXCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-16(13-7-9-18-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13H,7-10H2.
What are the key properties of naphthalen-2-yl(oxan-4-yl)methanone?
naphthalen-2-yl(oxan-4-yl)methanone has a molecular weight of 240.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl(oxan-4-yl)methanone is sourced from PubChem (CID 63936878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).