1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione

C19H18O4 — CID 19847704

IUPAC1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione
SMILESCOc1ccc(C(=O)C(C)C(=O)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H18O4/c1-13(19(22)15-8-10-16(23-2)11-9-15)17(20)12-18(21)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyQKAGBOCFQOFCSY-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.36
Rot. Bonds7

About 1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione

1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione (PubChem CID 19847704) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione
PubChem CID19847704
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione
SMILESCOc1ccc(C(=O)C(C)C(=O)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H18O4/c1-13(19(22)15-8-10-16(23-2)11-9-15)17(20)12-18(21)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyQKAGBOCFQOFCSY-UHFFFAOYSA-N
XLogP3.36
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,5-diphenylpentane-1,3,5-trione
CID 14303545
2-methyl-5-phenyl-1-pyridin-4-ylpentane-1,3,5-trione
CID 14373878
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
CID 2782518
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
1-(2-chlorophenyl)-2-methyl-5-phenylpentane-1,3,5-trione
CID 19847705
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione;methane;1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 159705023
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione (CID 19847704) is 1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione is COc1ccc(C(=O)C(C)C(=O)CC(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione?
The InChIKey is QKAGBOCFQOFCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-13(19(22)15-8-10-16(23-2)11-9-15)17(20)12-18(21)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione?
1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione has a molecular weight of 310.35 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione is sourced from PubChem (CID 19847704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).