1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone

C30H42O3 — CID 160549823

IUPAC1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)c1cc(C(=O)CC2CCCCC2)cc(C(=O)CC2CCCCC2)c1
InChIInChI=1S/C30H42O3/c31-28(16-22-10-4-1-5-11-22)25-19-26(29(32)17-23-12-6-2-7-13-23)21-27(20-25)30(33)18-24-14-8-3-9-15-24/h19-24H,1-18H2
InChIKeyQXXJRUHCQJLUFM-UHFFFAOYSA-N
MW450.66 g/mol
LogP8.15
Rot. Bonds9

About 1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone

1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone (PubChem CID 160549823) has the molecular formula C30H42O3 and a molecular weight of 450.66 g/mol. Its IUPAC name is 1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
PubChem CID160549823
Molecular FormulaC30H42O3
Molecular Weight450.66 g/mol
Exact Mass450.31
IUPAC Name1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)c1cc(C(=O)CC2CCCCC2)cc(C(=O)CC2CCCCC2)c1
InChIInChI=1S/C30H42O3/c31-28(16-22-10-4-1-5-11-22)25-19-26(29(32)17-23-12-6-2-7-13-23)21-27(20-25)30(33)18-24-14-8-3-9-15-24/h19-24H,1-18H2
InChIKeyQXXJRUHCQJLUFM-UHFFFAOYSA-N
XLogP8.15
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.66
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
CID 62620273
2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355
2-cyclohexyl-1-pyrimidin-5-ylethanone
CID 114965913
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-cycloheptyl-1-(furan-3-yl)ethanone
CID 114971700
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone
CID 106754594
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
2-[4-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]cyclohexyl]-1-(3,4,5-trihydroxyphenyl)ethanone
CID 22895321
1-(3-bromophenyl)-2-cyclopentylethanone
CID 62620769
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone?
The IUPAC name of 1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone (CID 160549823) is 1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone?
The canonical SMILES for 1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone is O=C(CC1CCCCC1)c1cc(C(=O)CC2CCCCC2)cc(C(=O)CC2CCCCC2)c1.
What is the InChIKey of 1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone?
The InChIKey is QXXJRUHCQJLUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O3/c31-28(16-22-10-4-1-5-11-22)25-19-26(29(32)17-23-12-6-2-7-13-23)21-27(20-25)30(33)18-24-14-8-3-9-15-24/h19-24H,1-18H2.
What are the key properties of 1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone?
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone has a molecular weight of 450.66 g/mol, XLogP of 8.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone is sourced from PubChem (CID 160549823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).