2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one

C24H30O4 — CID 20547295

IUPAC2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one
SMILESCC(C)(OCCCCOC(C)(C)C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H30O4/c1-23(2,21(25)19-13-7-5-8-14-19)27-17-11-12-18-28-24(3,4)22(26)20-15-9-6-10-16-20/h5-10,13-16H,11-12,17-18H2,1-4H3
InChIKeyUTZFVJHJAUWEBQ-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.12
Rot. Bonds11

About 2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one

2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one (PubChem CID 20547295) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one
PubChem CID20547295
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one
SMILESCC(C)(OCCCCOC(C)(C)C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H30O4/c1-23(2,21(25)19-13-7-5-8-14-19)27-17-11-12-18-28-24(3,4)22(26)20-15-9-6-10-16-20/h5-10,13-16H,11-12,17-18H2,1-4H3
InChIKeyUTZFVJHJAUWEBQ-UHFFFAOYSA-N
XLogP5.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one?
The IUPAC name of 2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one (CID 20547295) is 2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one?
The canonical SMILES for 2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one is CC(C)(OCCCCOC(C)(C)C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one?
The InChIKey is UTZFVJHJAUWEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-23(2,21(25)19-13-7-5-8-14-19)27-17-11-12-18-28-24(3,4)22(26)20-15-9-6-10-16-20/h5-10,13-16H,11-12,17-18H2,1-4H3.
What are the key properties of 2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one?
2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one has a molecular weight of 382.50 g/mol, XLogP of 5.12, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxybutoxy]-1-phenylpropan-1-one is sourced from PubChem (CID 20547295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).