3-phenyl-4-propyl-2H-furan-5-one

C13H14O2 — CID 118283591

IUPAC3-phenyl-4-propyl-2H-furan-5-one
SMILESCCCC1=C(c2ccccc2)COC1=O
InChIInChI=1S/C13H14O2/c1-2-6-11-12(9-15-13(11)14)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyLTUBFUREOYDWOX-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.80
Rot. Bonds3

About 3-phenyl-4-propyl-2H-furan-5-one

3-phenyl-4-propyl-2H-furan-5-one (PubChem CID 118283591) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-phenyl-4-propyl-2H-furan-5-one.

Molecular Properties

Compound Name3-phenyl-4-propyl-2H-furan-5-one
PubChem CID118283591
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name3-phenyl-4-propyl-2H-furan-5-one
SMILESCCCC1=C(c2ccccc2)COC1=O
InChIInChI=1S/C13H14O2/c1-2-6-11-12(9-15-13(11)14)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKeyLTUBFUREOYDWOX-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-propyl-2H-furan-5-one?
The IUPAC name of 3-phenyl-4-propyl-2H-furan-5-one (CID 118283591) is 3-phenyl-4-propyl-2H-furan-5-one.
What is the SMILES notation for 3-phenyl-4-propyl-2H-furan-5-one?
The canonical SMILES for 3-phenyl-4-propyl-2H-furan-5-one is CCCC1=C(c2ccccc2)COC1=O.
What is the InChIKey of 3-phenyl-4-propyl-2H-furan-5-one?
The InChIKey is LTUBFUREOYDWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-6-11-12(9-15-13(11)14)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3.
What are the key properties of 3-phenyl-4-propyl-2H-furan-5-one?
3-phenyl-4-propyl-2H-furan-5-one has a molecular weight of 202.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-propyl-2H-furan-5-one is sourced from PubChem (CID 118283591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).