3-(4-methoxyphenyl)-6-phenylpyran-2-one

C18H14O3 — CID 15308954

IUPAC3-(4-methoxyphenyl)-6-phenylpyran-2-one
SMILESCOc1ccc(-c2ccc(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C18H14O3/c1-20-15-9-7-13(8-10-15)16-11-12-17(21-18(16)19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyXMYNJRJMWJVMSJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.98
Rot. Bonds3

About 3-(4-methoxyphenyl)-6-phenylpyran-2-one

3-(4-methoxyphenyl)-6-phenylpyran-2-one (PubChem CID 15308954) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-phenylpyran-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-phenylpyran-2-one
PubChem CID15308954
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name3-(4-methoxyphenyl)-6-phenylpyran-2-one
SMILESCOc1ccc(-c2ccc(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C18H14O3/c1-20-15-9-7-13(8-10-15)16-11-12-17(21-18(16)19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyXMYNJRJMWJVMSJ-UHFFFAOYSA-N
XLogP3.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)-3-phenylpyran-2-one
CID 11486407
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
2-(2-methoxyphenyl)-5-(4-methoxyphenyl)furan
CID 132514365
2-(4-methoxyphenyl)indeno[2,1-b]pyran
CID 822916
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
6-tert-butyl-3-(4-methoxyphenyl)-4-phenylpyran-2-one
CID 162397116
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran
CID 175558606
3-(4-methoxyphenyl)-6-methylbenzo[h]chromen-2-one
CID 53248702
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-phenylpyran-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-6-phenylpyran-2-one (CID 15308954) is 3-(4-methoxyphenyl)-6-phenylpyran-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-phenylpyran-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-6-phenylpyran-2-one is COc1ccc(-c2ccc(-c3ccccc3)oc2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-phenylpyran-2-one?
The InChIKey is XMYNJRJMWJVMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-20-15-9-7-13(8-10-15)16-11-12-17(21-18(16)19)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-6-phenylpyran-2-one?
3-(4-methoxyphenyl)-6-phenylpyran-2-one has a molecular weight of 278.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-phenylpyran-2-one is sourced from PubChem (CID 15308954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).