2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one

C28H38O3 — CID 57068095

IUPAC2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one
SMILESCC(C)C(=O)c1ccc(C(C)(C)COCC(C)(C)c2ccc(C(=O)C(C)C)cc2)cc1
InChIInChI=1S/C28H38O3/c1-19(2)25(29)21-9-13-23(14-10-21)27(5,6)17-31-18-28(7,8)24-15-11-22(12-16-24)26(30)20(3)4/h9-16,19-20H,17-18H2,1-8H3
InChIKeyWTYYOPHSDCADKX-UHFFFAOYSA-N
MW422.61 g/mol
LogP6.64
Rot. Bonds10

About 2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one

2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one (PubChem CID 57068095) has the molecular formula C28H38O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one
PubChem CID57068095
Molecular FormulaC28H38O3
Molecular Weight422.61 g/mol
Exact Mass422.28
IUPAC Name2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one
SMILESCC(C)C(=O)c1ccc(C(C)(C)COCC(C)(C)c2ccc(C(=O)C(C)C)cc2)cc1
InChIInChI=1S/C28H38O3/c1-19(2)25(29)21-9-13-23(14-10-21)27(5,6)17-31-18-28(7,8)24-15-11-22(12-16-24)26(30)20(3)4/h9-16,19-20H,17-18H2,1-8H3
InChIKeyWTYYOPHSDCADKX-UHFFFAOYSA-N
XLogP6.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one with MolForge

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Related Compounds

1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
CID 56617676
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
2-methyl-1-(4-sulfanylphenyl)propan-1-one
CID 13166665
3-methyl-1-[4-(2-methylpropanoyl)phenyl]butan-2-one
CID 135216998
2-bromo-1-(4-tert-butylphenyl)propan-1-one
CID 43144127
1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-3-phenylpropane-1,3-dione
CID 163212628
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
1-(4-tert-butylphenyl)-2-methylpentan-1-one
CID 43160032
2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one
CID 144517477
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
N-[1,3-bis(4-methyl-3-oxopentoxy)-2-[(4-methyl-3-oxopentoxy)methyl]propan-2-yl]-4-[4-(2-methylpropanoyl)phenyl]benzamide;molecular hydrogen
CID 171557195
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one (CID 57068095) is 2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one is CC(C)C(=O)c1ccc(C(C)(C)COCC(C)(C)c2ccc(C(=O)C(C)C)cc2)cc1.
What is the InChIKey of 2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one?
The InChIKey is WTYYOPHSDCADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O3/c1-19(2)25(29)21-9-13-23(14-10-21)27(5,6)17-31-18-28(7,8)24-15-11-22(12-16-24)26(30)20(3)4/h9-16,19-20H,17-18H2,1-8H3.
What are the key properties of 2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one?
2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one has a molecular weight of 422.61 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[2-methyl-1-[2-methyl-2-[4-(2-methylpropanoyl)phenyl]propoxy]propan-2-yl]phenyl]propan-1-one is sourced from PubChem (CID 57068095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).