1-[4-(cyclooctylmethyl)phenyl]ethanone

C17H24O — CID 154098727

IUPAC1-[4-(cyclooctylmethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CC2CCCCCCC2)cc1
InChIInChI=1S/C17H24O/c1-14(18)17-11-9-16(10-12-17)13-15-7-5-3-2-4-6-8-15/h9-12,15H,2-8,13H2,1H3
InChIKeyIIYRYTGRCALENA-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.79
Rot. Bonds3

About 1-[4-(cyclooctylmethyl)phenyl]ethanone

1-[4-(cyclooctylmethyl)phenyl]ethanone (PubChem CID 154098727) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[4-(cyclooctylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclooctylmethyl)phenyl]ethanone
PubChem CID154098727
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-[4-(cyclooctylmethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CC2CCCCCCC2)cc1
InChIInChI=1S/C17H24O/c1-14(18)17-11-9-16(10-12-17)13-15-7-5-3-2-4-6-8-15/h9-12,15H,2-8,13H2,1H3
InChIKeyIIYRYTGRCALENA-UHFFFAOYSA-N
XLogP4.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(cyclobutylmethyl)phenyl]phenyl]ethanone
CID 18738048
4-(cyclohexylmethyl)benzoyl iodide
CID 163522101
4-(cyclobutylmethyl)benzamide
CID 174975666
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
1-[3-(cyclobutylmethyl)phenyl]ethanone
CID 115017585
bis[4-(cyclohexylmethyl)phenyl] carbonate
CID 141347280
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
1-[4-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]phenyl]ethanone
CID 11417406
1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
[4-(chloromethyl)phenyl]methylcyclooctane
CID 134250550
2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide
CID 4883415
1-(cyclopentylmethyl)-4-ethylbenzene;ethane;hexan-2-one
CID 145234028

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclooctylmethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(cyclooctylmethyl)phenyl]ethanone (CID 154098727) is 1-[4-(cyclooctylmethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(cyclooctylmethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(cyclooctylmethyl)phenyl]ethanone is CC(=O)c1ccc(CC2CCCCCCC2)cc1.
What is the InChIKey of 1-[4-(cyclooctylmethyl)phenyl]ethanone?
The InChIKey is IIYRYTGRCALENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-14(18)17-11-9-16(10-12-17)13-15-7-5-3-2-4-6-8-15/h9-12,15H,2-8,13H2,1H3.
What are the key properties of 1-[4-(cyclooctylmethyl)phenyl]ethanone?
1-[4-(cyclooctylmethyl)phenyl]ethanone has a molecular weight of 244.38 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclooctylmethyl)phenyl]ethanone is sourced from PubChem (CID 154098727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).