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

C18H26O — CID 43337749

IUPAC1-(4-tert-butylphenyl)-2-cyclohexylethanone
SMILESCC(C)(C)c1ccc(C(=O)CC2CCCCC2)cc1
InChIInChI=1S/C18H26O/c1-18(2,3)16-11-9-15(10-12-16)17(19)13-14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3
InChIKeyCOETXJLTQISUFN-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.14
Rot. Bonds3

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

1-(4-tert-butylphenyl)-2-cyclohexylethanone (PubChem CID 43337749) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-cyclohexylethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-cyclohexylethanone
PubChem CID43337749
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(4-tert-butylphenyl)-2-cyclohexylethanone
SMILESCC(C)(C)c1ccc(C(=O)CC2CCCCC2)cc1
InChIInChI=1S/C18H26O/c1-18(2,3)16-11-9-15(10-12-16)17(19)13-14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3
InChIKeyCOETXJLTQISUFN-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
1-(4-tert-butylphenyl)-2-(cyclohexylamino)ethanone
CID 82101742
1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone
CID 82101744
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone
CID 106848056
2-cyclohexyl-1-(4-propoxyphenyl)ethanone
CID 12505088
1-(4-bromophenyl)-2-cyclobutylethanone
CID 65458564
2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145691
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-cyclohexylethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-cyclohexylethanone (CID 43337749) is 1-(4-tert-butylphenyl)-2-cyclohexylethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-cyclohexylethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-cyclohexylethanone is CC(C)(C)c1ccc(C(=O)CC2CCCCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-cyclohexylethanone?
The InChIKey is COETXJLTQISUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-18(2,3)16-11-9-15(10-12-16)17(19)13-14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-cyclohexylethanone?
1-(4-tert-butylphenyl)-2-cyclohexylethanone has a molecular weight of 258.40 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-cyclohexylethanone is sourced from PubChem (CID 43337749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).