2-(4-tert-butylphenyl)-1-cycloheptylethanone

C19H28O — CID 65399375

IUPAC2-(4-tert-butylphenyl)-1-cycloheptylethanone
SMILESCC(C)(C)c1ccc(CC(=O)C2CCCCCC2)cc1
InChIInChI=1S/C19H28O/c1-19(2,3)17-12-10-15(11-13-17)14-18(20)16-8-6-4-5-7-9-16/h10-13,16H,4-9,14H2,1-3H3
InChIKeyFLNPQWKURBALSD-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.07
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-cycloheptylethanone

2-(4-tert-butylphenyl)-1-cycloheptylethanone (PubChem CID 65399375) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-cycloheptylethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-cycloheptylethanone
PubChem CID65399375
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name2-(4-tert-butylphenyl)-1-cycloheptylethanone
SMILESCC(C)(C)c1ccc(CC(=O)C2CCCCCC2)cc1
InChIInChI=1S/C19H28O/c1-19(2,3)17-12-10-15(11-13-17)14-18(20)16-8-6-4-5-7-9-16/h10-13,16H,4-9,14H2,1-3H3
InChIKeyFLNPQWKURBALSD-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409366
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
1-[4-(aminomethyl)cyclohexyl]-2-(4-tert-butylphenyl)ethanone
CID 116592436
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
2-(4-tert-butylphenyl)-1-(9-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171949725
2-(4-tert-butylphenyl)-1-(8-oxabicyclo[3.2.1]octan-3-yl)ethanone
CID 171949715
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
2-(4-tert-butylphenyl)-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone
CID 58145202
3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
CID 39390816

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-cycloheptylethanone?
The IUPAC name of 2-(4-tert-butylphenyl)-1-cycloheptylethanone (CID 65399375) is 2-(4-tert-butylphenyl)-1-cycloheptylethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-cycloheptylethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-cycloheptylethanone is CC(C)(C)c1ccc(CC(=O)C2CCCCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-cycloheptylethanone?
The InChIKey is FLNPQWKURBALSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-19(2,3)17-12-10-15(11-13-17)14-18(20)16-8-6-4-5-7-9-16/h10-13,16H,4-9,14H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-cycloheptylethanone?
2-(4-tert-butylphenyl)-1-cycloheptylethanone has a molecular weight of 272.43 g/mol, XLogP of 5.07, 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-cycloheptylethanone is sourced from PubChem (CID 65399375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).