3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one

C27H30O — CID 100928850

IUPAC3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one
SMILESCC(C)(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H30O/c1-26(2,3)24-17-11-20(12-18-24)19-27(4,5)25(28)23-15-13-22(14-16-23)21-9-7-6-8-10-21/h6-18H,19H2,1-5H3
InChIKeyKEWWTOZIUGTCQF-UHFFFAOYSA-N
MW370.54 g/mol
LogP7.10
Rot. Bonds5

About 3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one

3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one (PubChem CID 100928850) has the molecular formula C27H30O and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one
PubChem CID100928850
Molecular FormulaC27H30O
Molecular Weight370.54 g/mol
Exact Mass370.23
IUPAC Name3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one
SMILESCC(C)(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H30O/c1-26(2,3)24-17-11-20(12-18-24)19-27(4,5)25(28)23-15-13-22(14-16-23)21-9-7-6-8-10-21/h6-18H,19H2,1-5H3
InChIKeyKEWWTOZIUGTCQF-UHFFFAOYSA-N
XLogP7.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
CID 142597809
2-(aminomethyl)-2-methyl-1-(4-phenylphenyl)butan-1-one
CID 116610814
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one
CID 79057003
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816
2-[(4-tert-butylphenyl)methyl]-2-ethylbutanoic acid
CID 63402911
acetic acid;1,4-bis(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[4-(2,2-dimethylpropyl)phenoxy]benzene;1-(2,2-dimethylpropyl)-4-[4-(2,2-dimethylpropyl)phenyl]benzene;methane
CID 159068746
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
ethane;4-phenylbenzoic acid;propane
CID 156791718

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one (CID 100928850) is 3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one is CC(C)(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one?
The InChIKey is KEWWTOZIUGTCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O/c1-26(2,3)24-17-11-20(12-18-24)19-27(4,5)25(28)23-15-13-22(14-16-23)21-9-7-6-8-10-21/h6-18H,19H2,1-5H3.
What are the key properties of 3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one?
3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one has a molecular weight of 370.54 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 100928850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).