3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one

C23H26O3 — CID 54691201

IUPAC3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one
SMILESCC(C)C(C1=C(O)C(CCCc2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C23H26O3/c1-16(2)20(18-13-7-4-8-14-18)21-22(24)19(26-23(21)25)15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14,16,19-20,24H,9,12,15H2,1-2H3
InChIKeyIKNRGRBJVTXHOX-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.19
Rot. Bonds7

About 3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one

3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one (PubChem CID 54691201) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one
PubChem CID54691201
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one
SMILESCC(C)C(C1=C(O)C(CCCc2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C23H26O3/c1-16(2)20(18-13-7-4-8-14-18)21-22(24)19(26-23(21)25)15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14,16,19-20,24H,9,12,15H2,1-2H3
InChIKeyIKNRGRBJVTXHOX-UHFFFAOYSA-N
XLogP5.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one?
The IUPAC name of 3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one (CID 54691201) is 3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one is CC(C)C(C1=C(O)C(CCCc2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of 3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one?
The InChIKey is IKNRGRBJVTXHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-16(2)20(18-13-7-4-8-14-18)21-22(24)19(26-23(21)25)15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14,16,19-20,24H,9,12,15H2,1-2H3.
What are the key properties of 3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one?
3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one has a molecular weight of 350.46 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-methyl-1-phenylpropyl)-2-(3-phenylpropyl)-2H-furan-5-one is sourced from PubChem (CID 54691201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).