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

C17H14O2 — CID 11593998

IUPAC3-benzyl-4-phenyl-2H-furan-5-one
SMILESO=C1OCC(Cc2ccccc2)=C1c1ccccc1
InChIInChI=1S/C17H14O2/c18-17-16(14-9-5-2-6-10-14)15(12-19-17)11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyRTTHRDSFKNSBAG-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.24
Rot. Bonds3

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

3-benzyl-4-phenyl-2H-furan-5-one (PubChem CID 11593998) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-benzyl-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name3-benzyl-4-phenyl-2H-furan-5-one
PubChem CID11593998
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name3-benzyl-4-phenyl-2H-furan-5-one
SMILESO=C1OCC(Cc2ccccc2)=C1c1ccccc1
InChIInChI=1S/C17H14O2/c18-17-16(14-9-5-2-6-10-14)15(12-19-17)11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyRTTHRDSFKNSBAG-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-phenyl-2H-furan-5-one?
The IUPAC name of 3-benzyl-4-phenyl-2H-furan-5-one (CID 11593998) is 3-benzyl-4-phenyl-2H-furan-5-one.
What is the SMILES notation for 3-benzyl-4-phenyl-2H-furan-5-one?
The canonical SMILES for 3-benzyl-4-phenyl-2H-furan-5-one is O=C1OCC(Cc2ccccc2)=C1c1ccccc1.
What is the InChIKey of 3-benzyl-4-phenyl-2H-furan-5-one?
The InChIKey is RTTHRDSFKNSBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-17-16(14-9-5-2-6-10-14)15(12-19-17)11-13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 3-benzyl-4-phenyl-2H-furan-5-one?
3-benzyl-4-phenyl-2H-furan-5-one has a molecular weight of 250.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 11593998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).