4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one

C25H22O3 — CID 54721778

IUPAC4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1CCc1ccccc1
InChIInChI=1S/C25H22O3/c26-23-18-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)28-24(27)22(23)17-16-19-10-4-1-5-11-19/h1-15,26H,16-18H2
InChIKeyPBBBXISZVJJMKO-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.32
Rot. Bonds5

About 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one

4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one (PubChem CID 54721778) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one.

Molecular Properties

Compound Name4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one
PubChem CID54721778
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1CCc1ccccc1
InChIInChI=1S/C25H22O3/c26-23-18-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)28-24(27)22(23)17-16-19-10-4-1-5-11-19/h1-15,26H,16-18H2
InChIKeyPBBBXISZVJJMKO-UHFFFAOYSA-N
XLogP5.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one?
The IUPAC name of 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one (CID 54721778) is 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one.
What is the SMILES notation for 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one?
The canonical SMILES for 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one is O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1CCc1ccccc1.
What is the InChIKey of 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one?
The InChIKey is PBBBXISZVJJMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O3/c26-23-18-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)28-24(27)22(23)17-16-19-10-4-1-5-11-19/h1-15,26H,16-18H2.
What are the key properties of 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one?
4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one has a molecular weight of 370.45 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one is sourced from PubChem (CID 54721778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).