cyclooctyl-(2-methoxyphenyl)methanone

C16H22O2 — CID 80602820

IUPACcyclooctyl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CCCCCCC1
InChIInChI=1S/C16H22O2/c1-18-15-12-8-7-11-14(15)16(17)13-9-5-3-2-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3
InChIKeyZJFZBQJKJRBJKY-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.24
Rot. Bonds3

About cyclooctyl-(2-methoxyphenyl)methanone

cyclooctyl-(2-methoxyphenyl)methanone (PubChem CID 80602820) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is cyclooctyl-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Namecyclooctyl-(2-methoxyphenyl)methanone
PubChem CID80602820
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namecyclooctyl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CCCCCCC1
InChIInChI=1S/C16H22O2/c1-18-15-12-8-7-11-14(15)16(17)13-9-5-3-2-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3
InChIKeyZJFZBQJKJRBJKY-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
CID 67302137
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
cyclopentyl-[2-(methoxymethoxy)phenyl]methanone
CID 10082767
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
CID 114962813
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
cycloheptyl-(2-iodophenyl)methanone
CID 115794862
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(2-methoxyphenyl)methanone?
The IUPAC name of cyclooctyl-(2-methoxyphenyl)methanone (CID 80602820) is cyclooctyl-(2-methoxyphenyl)methanone.
What is the SMILES notation for cyclooctyl-(2-methoxyphenyl)methanone?
The canonical SMILES for cyclooctyl-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-(2-methoxyphenyl)methanone?
The InChIKey is ZJFZBQJKJRBJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-18-15-12-8-7-11-14(15)16(17)13-9-5-3-2-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3.
What are the key properties of cyclooctyl-(2-methoxyphenyl)methanone?
cyclooctyl-(2-methoxyphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(2-methoxyphenyl)methanone is sourced from PubChem (CID 80602820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).