2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

C19H28O — CID 114967862

IUPAC2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC(C)(C)c1ccc(CC(=O)C2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C19H28O/c1-17(2,3)14-10-8-13(9-11-14)12-15(20)16-18(4,5)19(16,6)7/h8-11,16H,12H2,1-7H3
InChIKeyDFFHVNIELIDXCW-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.78
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (PubChem CID 114967862) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
PubChem CID114967862
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC(C)(C)c1ccc(CC(=O)C2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C19H28O/c1-17(2,3)14-10-8-13(9-11-14)12-15(20)16-18(4,5)19(16,6)7/h8-11,16H,12H2,1-7H3
InChIKeyDFFHVNIELIDXCW-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 66477283
2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375
2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114967922
2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone
CID 171949715
1-[4-(aminomethyl)cyclohexyl]-2-(4-tert-butylphenyl)ethanone
CID 116592436
1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
CID 141254494
1-(4-tert-butylphenyl)-3-chloropropan-2-one
CID 87878466
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
2-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
CID 45398570
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349
2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409366
1-(4-tert-butylphenyl)-4-chlorobutan-2-one
CID 57224368

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (CID 114967862) is 2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is CC(C)(C)c1ccc(CC(=O)C2C(C)(C)C2(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The InChIKey is DFFHVNIELIDXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-17(2,3)14-10-8-13(9-11-14)12-15(20)16-18(4,5)19(16,6)7/h8-11,16H,12H2,1-7H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone has a molecular weight of 272.43 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is sourced from PubChem (CID 114967862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).