4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one

C19H18O3 — CID 54682301

IUPAC4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one
SMILESO=C1C=C(O)CC(CCc2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H18O3/c20-17-13-18(21)22-19(14-17,16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10,13,20H,11-12,14H2
InChIKeyJYKPRQNMODBPRE-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.90
Rot. Bonds4

About 4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one

4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one (PubChem CID 54682301) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one.

Molecular Properties

Compound Name4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one
PubChem CID54682301
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one
SMILESO=C1C=C(O)CC(CCc2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H18O3/c20-17-13-18(21)22-19(14-17,16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10,13,20H,11-12,14H2
InChIKeyJYKPRQNMODBPRE-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.90
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-2-(2-phenylethyl)-3H-pyran-6-one?
The IUPAC name of 4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one (CID 54682301) is 4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one.
What is the SMILES notation for 4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one?
The canonical SMILES for 4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one is O=C1C=C(O)CC(CCc2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one?
The InChIKey is JYKPRQNMODBPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c20-17-13-18(21)22-19(14-17,16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10,13,20H,11-12,14H2.
What are the key properties of 4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one?
4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one has a molecular weight of 294.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one is sourced from PubChem (CID 54682301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).