6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one

C21H20O3 — CID 53483952

IUPAC6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one
SMILESCOc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1C
InChIInChI=1S/C21H20O3/c1-13-10-14(2)20(16-8-6-5-7-9-16)17(11-13)19-12-18(23-4)15(3)21(22)24-19/h5-12H,1-4H3
InChIKeyGORRUIALEVAHBX-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.91
Rot. Bonds3

About 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one

6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one (PubChem CID 53483952) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one
PubChem CID53483952
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one
SMILESCOc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1C
InChIInChI=1S/C21H20O3/c1-13-10-14(2)20(16-8-6-5-7-9-16)17(11-13)19-12-18(23-4)15(3)21(22)24-19/h5-12H,1-4H3
InChIKeyGORRUIALEVAHBX-UHFFFAOYSA-N
XLogP4.91
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one?
The IUPAC name of 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one (CID 53483952) is 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one?
The canonical SMILES for 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one is COc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1C.
What is the InChIKey of 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one?
The InChIKey is GORRUIALEVAHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-13-10-14(2)20(16-8-6-5-7-9-16)17(11-13)19-12-18(23-4)15(3)21(22)24-19/h5-12H,1-4H3.
What are the key properties of 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one?
6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one has a molecular weight of 320.39 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxy-3-methylpyran-2-one is sourced from PubChem (CID 53483952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).