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

C23H26O3 — CID 54691100

IUPAC4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one
SMILESCCCC1(c2ccccc2)CC(O)=C(C(CC)c2ccccc2)C(=O)O1
InChIInChI=1S/C23H26O3/c1-3-15-23(18-13-9-6-10-14-18)16-20(24)21(22(25)26-23)19(4-2)17-11-7-5-8-12-17/h5-14,19,24H,3-4,15-16H2,1-2H3
InChIKeyNSAKKGFBUXXJHG-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.63
Rot. Bonds6

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

4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one (PubChem CID 54691100) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one.

Molecular Properties

Compound Name4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one
PubChem CID54691100
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one
SMILESCCCC1(c2ccccc2)CC(O)=C(C(CC)c2ccccc2)C(=O)O1
InChIInChI=1S/C23H26O3/c1-3-15-23(18-13-9-6-10-14-18)16-20(24)21(22(25)26-23)19(4-2)17-11-7-5-8-12-17/h5-14,19,24H,3-4,15-16H2,1-2H3
InChIKeyNSAKKGFBUXXJHG-UHFFFAOYSA-N
XLogP5.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.63
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-(1-phenylpropyl)-2-propyl-3H-pyran-6-one?
The IUPAC name of 4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one (CID 54691100) is 4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one.
What is the SMILES notation for 4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one?
The canonical SMILES for 4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one is CCCC1(c2ccccc2)CC(O)=C(C(CC)c2ccccc2)C(=O)O1.
What is the InChIKey of 4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one?
The InChIKey is NSAKKGFBUXXJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-3-15-23(18-13-9-6-10-14-18)16-20(24)21(22(25)26-23)19(4-2)17-11-7-5-8-12-17/h5-14,19,24H,3-4,15-16H2,1-2H3.
What are the key properties of 4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one?
4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one has a molecular weight of 350.46 g/mol, XLogP of 5.63, 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-(1-phenylpropyl)-2-propyl-3H-pyran-6-one is sourced from PubChem (CID 54691100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).