1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone

C19H28O — CID 63527515

IUPAC1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28O/c1-14-5-7-15(8-6-14)13-18(20)16-9-11-17(12-10-16)19(2,3)4/h5-8,16-17H,9-13H2,1-4H3
InChIKeyOCQQKKUVPJRLMY-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.96
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone

1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone (PubChem CID 63527515) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
PubChem CID63527515
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28O/c1-14-5-7-15(8-6-14)13-18(20)16-9-11-17(12-10-16)19(2,3)4/h5-8,16-17H,9-13H2,1-4H3
InChIKeyOCQQKKUVPJRLMY-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
2-(4-methylphenyl)-1-piperidin-4-ylethanone
CID 82079035
2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375
1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone
CID 65409141
1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
CID 83171692
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
CID 143103497
1-[4-(aminomethyl)cyclohexyl]-2-(4-tert-butylphenyl)ethanone
CID 116592436

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone (CID 63527515) is 1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone?
The InChIKey is OCQQKKUVPJRLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-14-5-7-15(8-6-14)13-18(20)16-9-11-17(12-10-16)19(2,3)4/h5-8,16-17H,9-13H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone?
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone has a molecular weight of 272.43 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 63527515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).