2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one

C16H14O2 — CID 56658285

IUPAC2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(Cc2ccc3ccccc3c2)O1
InChIInChI=1S/C16H14O2/c17-16-7-3-6-15(18-16)11-12-8-9-13-4-1-2-5-14(13)10-12/h1-5,7-10,15H,6,11H2
InChIKeyPHZFNSLJRYAEJQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.25
Rot. Bonds2

About 2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one

2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one (PubChem CID 56658285) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one
PubChem CID56658285
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(Cc2ccc3ccccc3c2)O1
InChIInChI=1S/C16H14O2/c17-16-7-3-6-15(18-16)11-12-8-9-13-4-1-2-5-14(13)10-12/h1-5,7-10,15H,6,11H2
InChIKeyPHZFNSLJRYAEJQ-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one (CID 56658285) is 2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one is O=C1C=CCC(Cc2ccc3ccccc3c2)O1.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one?
The InChIKey is PHZFNSLJRYAEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-16-7-3-6-15(18-16)11-12-8-9-13-4-1-2-5-14(13)10-12/h1-5,7-10,15H,6,11H2.
What are the key properties of 2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one?
2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one has a molecular weight of 238.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 56658285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).