4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one

C23H26O3 — CID 59562675

IUPAC4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
SMILESCc1cc(-c2ccccc2)cc(C)c1C1=C(O)C(C)(C)OC(C)(C)C1=O
InChIInChI=1S/C23H26O3/c1-14-12-17(16-10-8-7-9-11-16)13-15(2)18(14)19-20(24)22(3,4)26-23(5,6)21(19)25/h7-13,24H,1-6H3
InChIKeyVCHWIPIHWBIREE-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.40
Rot. Bonds2

About 4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one

4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one (PubChem CID 59562675) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
PubChem CID59562675
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
SMILESCc1cc(-c2ccccc2)cc(C)c1C1=C(O)C(C)(C)OC(C)(C)C1=O
InChIInChI=1S/C23H26O3/c1-14-12-17(16-10-8-7-9-11-16)13-15(2)18(14)19-20(24)22(3,4)26-23(5,6)21(19)25/h7-13,24H,1-6H3
InChIKeyVCHWIPIHWBIREE-UHFFFAOYSA-N
XLogP5.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one?
The IUPAC name of 4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one (CID 59562675) is 4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one.
What is the SMILES notation for 4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one?
The canonical SMILES for 4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one is Cc1cc(-c2ccccc2)cc(C)c1C1=C(O)C(C)(C)OC(C)(C)C1=O.
What is the InChIKey of 4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one?
The InChIKey is VCHWIPIHWBIREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-14-12-17(16-10-8-7-9-11-16)13-15(2)18(14)19-20(24)22(3,4)26-23(5,6)21(19)25/h7-13,24H,1-6H3.
What are the key properties of 4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one?
4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one has a molecular weight of 350.46 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-phenylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one is sourced from PubChem (CID 59562675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).