2-naphthalen-1-yl-4-propyl-2H-furan-5-one

C17H16O2 — CID 101086940

IUPAC2-naphthalen-1-yl-4-propyl-2H-furan-5-one
SMILESCCCC1=CC(c2cccc3ccccc23)OC1=O
InChIInChI=1S/C17H16O2/c1-2-6-13-11-16(19-17(13)18)15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-11,16H,2,6H2,1H3
InChIKeyGUJAMLIPPYULRT-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.16
Rot. Bonds3

About 2-naphthalen-1-yl-4-propyl-2H-furan-5-one

2-naphthalen-1-yl-4-propyl-2H-furan-5-one (PubChem CID 101086940) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-propyl-2H-furan-5-one.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-propyl-2H-furan-5-one
PubChem CID101086940
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-naphthalen-1-yl-4-propyl-2H-furan-5-one
SMILESCCCC1=CC(c2cccc3ccccc23)OC1=O
InChIInChI=1S/C17H16O2/c1-2-6-13-11-16(19-17(13)18)15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-11,16H,2,6H2,1H3
InChIKeyGUJAMLIPPYULRT-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-propyl-2H-furan-5-one?
The IUPAC name of 2-naphthalen-1-yl-4-propyl-2H-furan-5-one (CID 101086940) is 2-naphthalen-1-yl-4-propyl-2H-furan-5-one.
What is the SMILES notation for 2-naphthalen-1-yl-4-propyl-2H-furan-5-one?
The canonical SMILES for 2-naphthalen-1-yl-4-propyl-2H-furan-5-one is CCCC1=CC(c2cccc3ccccc23)OC1=O.
What is the InChIKey of 2-naphthalen-1-yl-4-propyl-2H-furan-5-one?
The InChIKey is GUJAMLIPPYULRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-6-13-11-16(19-17(13)18)15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-11,16H,2,6H2,1H3.
What are the key properties of 2-naphthalen-1-yl-4-propyl-2H-furan-5-one?
2-naphthalen-1-yl-4-propyl-2H-furan-5-one has a molecular weight of 252.31 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-propyl-2H-furan-5-one is sourced from PubChem (CID 101086940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).