1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one

C20H24O — CID 63409816

IUPAC1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24O/c1-15-5-7-16(8-6-15)13-19(21)14-17-9-11-18(12-10-17)20(2,3)4/h5-12H,13-14H2,1-4H3
InChIKeyCXNNETYVAKCBSS-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.65
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one

1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one (PubChem CID 63409816) 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-2-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
PubChem CID63409816
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24O/c1-15-5-7-16(8-6-15)13-19(21)14-17-9-11-18(12-10-17)20(2,3)4/h5-12H,13-14H2,1-4H3
InChIKeyCXNNETYVAKCBSS-UHFFFAOYSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
CID 141254494
1-(4-tert-butylphenyl)-3-chloropropan-2-one
CID 87878466
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-(4-tert-butylphenyl)-4-chlorobutan-2-one
CID 57224368
4-chloro-1-(4-methylphenyl)butan-2-one
CID 57318013
1-(4-tert-butylphenyl)-4-methoxybutan-2-one
CID 62619886
4-(4-tert-butylphenyl)-3-oxobutanenitrile
CID 82078625
1-tert-butyl-4-methylbenzene
CID 163486601
5-hydroxy-1-(4-methylphenyl)pentan-2-one
CID 106677388
1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
CID 159697261
1-(4-tert-butylphenyl)-3-ethylsulfanylpropan-2-one
CID 65130363

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one (CID 63409816) is 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one is Cc1ccc(CC(=O)Cc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one?
The InChIKey is CXNNETYVAKCBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-15-5-7-16(8-6-15)13-19(21)14-17-9-11-18(12-10-17)20(2,3)4/h5-12H,13-14H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one?
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one has a molecular weight of 280.41 g/mol, XLogP of 4.65, 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-2-one is sourced from PubChem (CID 63409816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).