1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one

C20H24O — CID 159697261

IUPAC1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C20H24O/c1-15(2)12-17-8-10-19(11-9-17)14-20(21)13-18-6-4-16(3)5-7-18/h4-11,15H,12-14H2,1-3H3
InChIKeyMXEBCUVWASZIOX-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.55
Rot. Bonds6

About 1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one

1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one (PubChem CID 159697261) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
PubChem CID159697261
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C20H24O/c1-15(2)12-17-8-10-19(11-9-17)14-20(21)13-18-6-4-16(3)5-7-18/h4-11,15H,12-14H2,1-3H3
InChIKeyMXEBCUVWASZIOX-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
ethenol;1-methyl-4-(2-methylpropyl)benzene
CID 163264631
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1-(4-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 65134686
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one
CID 116596617
chloromethyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 165349245
3-methyl-1-(4-methylphenyl)butane-2-thione
CID 162185157
ethane;1-(4-methylphenyl)pentane-2,4-dione
CID 142280927

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one?
The IUPAC name of 1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one (CID 159697261) is 1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one?
The canonical SMILES for 1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one is Cc1ccc(CC(=O)Cc2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one?
The InChIKey is MXEBCUVWASZIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-15(2)12-17-8-10-19(11-9-17)14-20(21)13-18-6-4-16(3)5-7-18/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one?
1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one has a molecular weight of 280.41 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one is sourced from PubChem (CID 159697261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).