1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one

C20H24O — CID 105093699

IUPAC1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24O/c1-15-5-7-16(8-6-15)9-14-19(21)17-10-12-18(13-11-17)20(2,3)4/h5-8,10-13H,9,14H2,1-4H3
InChIKeyVMDLOQJCMBPBIK-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.11
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one

1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one (PubChem CID 105093699) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one
PubChem CID105093699
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24O/c1-15-5-7-16(8-6-15)9-14-19(21)17-10-12-18(13-11-17)20(2,3)4/h5-8,10-13H,9,14H2,1-4H3
InChIKeyVMDLOQJCMBPBIK-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-3-(4-methylsulfinylphenyl)propan-1-one
CID 159038478
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
3-(4-tert-butylphenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 91755690
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
3-(4-tert-butylphenyl)-1-(4-methylphenyl)but-3-en-1-one
CID 143097363
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594245
(4-tert-butylphenyl)methyl 4-methylbenzoate
CID 926039
3-(4-methylphenyl)-1-(3,4,5-trifluorophenyl)propan-1-one
CID 24725759

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one (CID 105093699) is 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one is Cc1ccc(CCC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one?
The InChIKey is VMDLOQJCMBPBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-15-5-7-16(8-6-15)9-14-19(21)17-10-12-18(13-11-17)20(2,3)4/h5-8,10-13H,9,14H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one?
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one has a molecular weight of 280.41 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 105093699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).