2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one

C19H18O3 — CID 5271556

IUPAC2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one
SMILESCOC1C=CC(=O)C(C)(c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C19H18O3/c1-19(17(20)12-13-18(21-2)22-19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,18H,1-2H3
InChIKeyQUASWCNNVKNKNH-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.70
Rot. Bonds3

About 2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one

2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one (PubChem CID 5271556) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one
PubChem CID5271556
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one
SMILESCOC1C=CC(=O)C(C)(c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C19H18O3/c1-19(17(20)12-13-18(21-2)22-19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,18H,1-2H3
InChIKeyQUASWCNNVKNKNH-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one?
The IUPAC name of 2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one (CID 5271556) is 2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one.
What is the SMILES notation for 2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one?
The canonical SMILES for 2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one is COC1C=CC(=O)C(C)(c2ccc(-c3ccccc3)cc2)O1.
What is the InChIKey of 2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one?
The InChIKey is QUASWCNNVKNKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-19(17(20)12-13-18(21-2)22-19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,18H,1-2H3.
What are the key properties of 2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one?
2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one has a molecular weight of 294.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one is sourced from PubChem (CID 5271556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).