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

C20H18O3 — CID 53493727

IUPAC6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one
SMILESCOc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1
InChIInChI=1S/C20H18O3/c1-13-9-14(2)20(15-7-5-4-6-8-15)17(10-13)18-11-16(22-3)12-19(21)23-18/h4-12H,1-3H3
InChIKeyPKGPVVFVJPDDHE-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.60
Rot. Bonds3

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

6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one (PubChem CID 53493727) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one
PubChem CID53493727
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one
SMILESCOc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1
InChIInChI=1S/C20H18O3/c1-13-9-14(2)20(15-7-5-4-6-8-15)17(10-13)18-11-16(22-3)12-19(21)23-18/h4-12H,1-3H3
InChIKeyPKGPVVFVJPDDHE-UHFFFAOYSA-N
XLogP4.60
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one?
The IUPAC name of 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one (CID 53493727) is 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one?
The canonical SMILES for 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one is COc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1.
What is the InChIKey of 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one?
The InChIKey is PKGPVVFVJPDDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-13-9-14(2)20(15-7-5-4-6-8-15)17(10-13)18-11-16(22-3)12-19(21)23-18/h4-12H,1-3H3.
What are the key properties of 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one?
6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one has a molecular weight of 306.36 g/mol, XLogP of 4.60, 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-methoxypyran-2-one is sourced from PubChem (CID 53493727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).