2,6-bis(3-methylphenyl)pyran-4-one

C19H16O2 — CID 73055523

IUPAC2,6-bis(3-methylphenyl)pyran-4-one
SMILESCc1cccc(-c2cc(=O)cc(-c3cccc(C)c3)o2)c1
InChIInChI=1S/C19H16O2/c1-13-5-3-7-15(9-13)18-11-17(20)12-19(21-18)16-8-4-6-14(2)10-16/h3-12H,1-2H3
InChIKeyUAVGILIDLXJPTJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.59
Rot. Bonds2

About 2,6-bis(3-methylphenyl)pyran-4-one

2,6-bis(3-methylphenyl)pyran-4-one (PubChem CID 73055523) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,6-bis(3-methylphenyl)pyran-4-one.

Molecular Properties

Compound Name2,6-bis(3-methylphenyl)pyran-4-one
PubChem CID73055523
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name2,6-bis(3-methylphenyl)pyran-4-one
SMILESCc1cccc(-c2cc(=O)cc(-c3cccc(C)c3)o2)c1
InChIInChI=1S/C19H16O2/c1-13-5-3-7-15(9-13)18-11-17(20)12-19(21-18)16-8-4-6-14(2)10-16/h3-12H,1-2H3
InChIKeyUAVGILIDLXJPTJ-UHFFFAOYSA-N
XLogP4.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-6-(3-methylphenyl)pyran-2-one
CID 54690178
4,9,14-tris(3-methylphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102106371
6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran
CID 145031024
2-(4-chlorophenyl)-6-(4-methylphenyl)pyran-4-one
CID 10756387
7-hydroxy-3-(3-methylphenyl)isochromen-1-one
CID 118395492
6-amino-2-(3-methylphenyl)chromen-4-one
CID 18568648
7-hydroxy-7-methyl-2-(3-methylphenyl)-1-benzofuran-4-one
CID 154710794
5-(3-methylphenyl)furan-2-carboxylate
CID 6957364
5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one
CID 132596417
3-(3-methylphenyl)-7-nitrosoisochromen-1-one
CID 138613162
[5-(3-methylphenyl)furan-2-yl]methanamine
CID 28804201
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-methylphenyl)pyran-4-one?
The IUPAC name of 2,6-bis(3-methylphenyl)pyran-4-one (CID 73055523) is 2,6-bis(3-methylphenyl)pyran-4-one.
What is the SMILES notation for 2,6-bis(3-methylphenyl)pyran-4-one?
The canonical SMILES for 2,6-bis(3-methylphenyl)pyran-4-one is Cc1cccc(-c2cc(=O)cc(-c3cccc(C)c3)o2)c1.
What is the InChIKey of 2,6-bis(3-methylphenyl)pyran-4-one?
The InChIKey is UAVGILIDLXJPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-13-5-3-7-15(9-13)18-11-17(20)12-19(21-18)16-8-4-6-14(2)10-16/h3-12H,1-2H3.
What are the key properties of 2,6-bis(3-methylphenyl)pyran-4-one?
2,6-bis(3-methylphenyl)pyran-4-one has a molecular weight of 276.34 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-methylphenyl)pyran-4-one is sourced from PubChem (CID 73055523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).