1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one

C25H28O4 — CID 54068106

IUPAC1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one
SMILESCCC(=O)c1ccc(Cc2ccc(C(=O)CC)cc2C(=O)CC)c(C(=O)CC)c1
InChIInChI=1S/C25H28O4/c1-5-22(26)18-11-9-16(20(14-18)24(28)7-3)13-17-10-12-19(23(27)6-2)15-21(17)25(29)8-4/h9-12,14-15H,5-8,13H2,1-4H3
InChIKeyTZJZTIBMFSBYCM-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.65
Rot. Bonds10

About 1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one

1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one (PubChem CID 54068106) has the molecular formula C25H28O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one
PubChem CID54068106
Molecular FormulaC25H28O4
Molecular Weight392.50 g/mol
Exact Mass392.20
IUPAC Name1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one
SMILESCCC(=O)c1ccc(Cc2ccc(C(=O)CC)cc2C(=O)CC)c(C(=O)CC)c1
InChIInChI=1S/C25H28O4/c1-5-22(26)18-11-9-16(20(14-18)24(28)7-3)13-17-10-12-19(23(27)6-2)15-21(17)25(29)8-4/h9-12,14-15H,5-8,13H2,1-4H3
InChIKeyTZJZTIBMFSBYCM-UHFFFAOYSA-N
XLogP5.65
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one?
The IUPAC name of 1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one (CID 54068106) is 1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one.
What is the SMILES notation for 1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one?
The canonical SMILES for 1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one is CCC(=O)c1ccc(Cc2ccc(C(=O)CC)cc2C(=O)CC)c(C(=O)CC)c1.
What is the InChIKey of 1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one?
The InChIKey is TZJZTIBMFSBYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4/c1-5-22(26)18-11-9-16(20(14-18)24(28)7-3)13-17-10-12-19(23(27)6-2)15-21(17)25(29)8-4/h9-12,14-15H,5-8,13H2,1-4H3.
What are the key properties of 1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one?
1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one has a molecular weight of 392.50 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2,4-di(propanoyl)phenyl]methyl]-3-propanoylphenyl]propan-1-one is sourced from PubChem (CID 54068106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).