1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone

C18H26O2 — CID 80601651

IUPAC1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CCCCCCC1
InChIInChI=1S/C18H26O2/c1-14-10-11-18(20-2)16(12-14)13-17(19)15-8-6-4-3-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3
InChIKeyCBRZDROSNAKQKT-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.48
Rot. Bonds4

About 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone

1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 80601651) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID80601651
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CCCCCCC1
InChIInChI=1S/C18H26O2/c1-14-10-11-18(20-2)16(12-14)13-17(19)15-8-6-4-3-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3
InChIKeyCBRZDROSNAKQKT-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
CID 9327312
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402780
1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
CID 61482005
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 110801677
2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114965714
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
2-(3-bromo-4-methoxyphenyl)-1-cyclohexylethanone
CID 54971754
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone (CID 80601651) is 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone is COc1ccc(C)cc1CC(=O)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is CBRZDROSNAKQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-14-10-11-18(20-2)16(12-14)13-17(19)15-8-6-4-3-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3.
What are the key properties of 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone?
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone has a molecular weight of 274.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 80601651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).