2-benzyl-2-methyl-5-propylfuran-3-one

C15H18O2 — CID 45098118

IUPAC2-benzyl-2-methyl-5-propylfuran-3-one
SMILESCCCC1=CC(=O)C(C)(Cc2ccccc2)O1
InChIInChI=1S/C15H18O2/c1-3-7-13-10-14(16)15(2,17-13)11-12-8-5-4-6-9-12/h4-6,8-10H,3,7,11H2,1-2H3
InChIKeyDWZYJMPIBRZPEI-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.27
Rot. Bonds4

About 2-benzyl-2-methyl-5-propylfuran-3-one

2-benzyl-2-methyl-5-propylfuran-3-one (PubChem CID 45098118) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-benzyl-2-methyl-5-propylfuran-3-one.

Molecular Properties

Compound Name2-benzyl-2-methyl-5-propylfuran-3-one
PubChem CID45098118
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-benzyl-2-methyl-5-propylfuran-3-one
SMILESCCCC1=CC(=O)C(C)(Cc2ccccc2)O1
InChIInChI=1S/C15H18O2/c1-3-7-13-10-14(16)15(2,17-13)11-12-8-5-4-6-9-12/h4-6,8-10H,3,7,11H2,1-2H3
InChIKeyDWZYJMPIBRZPEI-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-methyl-5-propylfuran-3-one?
The IUPAC name of 2-benzyl-2-methyl-5-propylfuran-3-one (CID 45098118) is 2-benzyl-2-methyl-5-propylfuran-3-one.
What is the SMILES notation for 2-benzyl-2-methyl-5-propylfuran-3-one?
The canonical SMILES for 2-benzyl-2-methyl-5-propylfuran-3-one is CCCC1=CC(=O)C(C)(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-2-methyl-5-propylfuran-3-one?
The InChIKey is DWZYJMPIBRZPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-7-13-10-14(16)15(2,17-13)11-12-8-5-4-6-9-12/h4-6,8-10H,3,7,11H2,1-2H3.
What are the key properties of 2-benzyl-2-methyl-5-propylfuran-3-one?
2-benzyl-2-methyl-5-propylfuran-3-one has a molecular weight of 230.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-methyl-5-propylfuran-3-one is sourced from PubChem (CID 45098118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).