4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one

C22H22O3 — CID 54688880

IUPAC4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one
SMILESCCC(c1ccccc1)c1c(O)cc(CCc2ccccc2)oc1=O
InChIInChI=1S/C22H22O3/c1-2-19(17-11-7-4-8-12-17)21-20(23)15-18(25-22(21)24)14-13-16-9-5-3-6-10-16/h3-12,15,19,23H,2,13-14H2,1H3
InChIKeyOAXPPAUXOZJCFF-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.67
Rot. Bonds6

About 4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one

4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one (PubChem CID 54688880) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one
PubChem CID54688880
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one
SMILESCCC(c1ccccc1)c1c(O)cc(CCc2ccccc2)oc1=O
InChIInChI=1S/C22H22O3/c1-2-19(17-11-7-4-8-12-17)21-20(23)15-18(25-22(21)24)14-13-16-9-5-3-6-10-16/h3-12,15,19,23H,2,13-14H2,1H3
InChIKeyOAXPPAUXOZJCFF-UHFFFAOYSA-N
XLogP4.67
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one (CID 54688880) is 4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one is CCC(c1ccccc1)c1c(O)cc(CCc2ccccc2)oc1=O.
What is the InChIKey of 4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one?
The InChIKey is OAXPPAUXOZJCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-2-19(17-11-7-4-8-12-17)21-20(23)15-18(25-22(21)24)14-13-16-9-5-3-6-10-16/h3-12,15,19,23H,2,13-14H2,1H3.
What are the key properties of 4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one?
4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one has a molecular weight of 334.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)pyran-2-one is sourced from PubChem (CID 54688880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).