4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one

C23H24O3 — CID 67792206

IUPAC4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one
SMILESCCCC1(c2ccccc2)CC(O)=C(C=CCc2ccccc2)C(=O)O1
InChIInChI=1S/C23H24O3/c1-2-16-23(19-13-7-4-8-14-19)17-21(24)20(22(25)26-23)15-9-12-18-10-5-3-6-11-18/h3-11,13-15,24H,2,12,16-17H2,1H3
InChIKeyRVEGGRXEGFFAGG-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.24
Rot. Bonds6

About 4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one

4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one (PubChem CID 67792206) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one.

Molecular Properties

Compound Name4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one
PubChem CID67792206
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one
SMILESCCCC1(c2ccccc2)CC(O)=C(C=CCc2ccccc2)C(=O)O1
InChIInChI=1S/C23H24O3/c1-2-16-23(19-13-7-4-8-14-19)17-21(24)20(22(25)26-23)15-9-12-18-10-5-3-6-11-18/h3-11,13-15,24H,2,12,16-17H2,1H3
InChIKeyRVEGGRXEGFFAGG-UHFFFAOYSA-N
XLogP5.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one?
The IUPAC name of 4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one (CID 67792206) is 4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one.
What is the SMILES notation for 4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one?
The canonical SMILES for 4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one is CCCC1(c2ccccc2)CC(O)=C(C=CCc2ccccc2)C(=O)O1.
What is the InChIKey of 4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one?
The InChIKey is RVEGGRXEGFFAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-2-16-23(19-13-7-4-8-14-19)17-21(24)20(22(25)26-23)15-9-12-18-10-5-3-6-11-18/h3-11,13-15,24H,2,12,16-17H2,1H3.
What are the key properties of 4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one?
4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one has a molecular weight of 348.44 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenyl-5-(3-phenylprop-1-enyl)-2-propyl-3H-pyran-6-one is sourced from PubChem (CID 67792206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).