2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone

C19H28O — CID 63409366

IUPAC2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)Cc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H28O/c1-14-6-5-7-16(12-14)18(20)13-15-8-10-17(11-9-15)19(2,3)4/h8-11,14,16H,5-7,12-13H2,1-4H3
InChIKeyYEEZWCWVEKIALK-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.92
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone

2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone (PubChem CID 63409366) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
PubChem CID63409366
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)Cc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H28O/c1-14-6-5-7-16(12-14)18(20)13-15-8-10-17(11-9-15)19(2,3)4/h8-11,14,16H,5-7,12-13H2,1-4H3
InChIKeyYEEZWCWVEKIALK-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409929
2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375
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
tert-butyl 3-[2-(4-tert-butylphenyl)acetyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171949722
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65476464
1-[4-(aminomethyl)cyclohexyl]-2-(4-tert-butylphenyl)ethanone
CID 116592436
2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone
CID 79745576
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114967922
2-(4-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 114853742

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone (CID 63409366) is 2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone is CC1CCCC(C(=O)Cc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone?
The InChIKey is YEEZWCWVEKIALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-14-6-5-7-16(12-14)18(20)13-15-8-10-17(11-9-15)19(2,3)4/h8-11,14,16H,5-7,12-13H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone?
2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone has a molecular weight of 272.43 g/mol, XLogP of 4.92, 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-(3-methylcyclohexyl)ethanone is sourced from PubChem (CID 63409366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).