cyclooctyl-(2-methylphenyl)methanone

C16H22O — CID 80602643

IUPACcyclooctyl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)C1CCCCCCC1
InChIInChI=1S/C16H22O/c1-13-9-7-8-12-15(13)16(17)14-10-5-3-2-4-6-11-14/h7-9,12,14H,2-6,10-11H2,1H3
InChIKeyJAWDKVDGVZWLPY-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.54
Rot. Bonds2

About cyclooctyl-(2-methylphenyl)methanone

cyclooctyl-(2-methylphenyl)methanone (PubChem CID 80602643) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is cyclooctyl-(2-methylphenyl)methanone.

Molecular Properties

Compound Namecyclooctyl-(2-methylphenyl)methanone
PubChem CID80602643
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Namecyclooctyl-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)C1CCCCCCC1
InChIInChI=1S/C16H22O/c1-13-9-7-8-12-15(13)16(17)14-10-5-3-2-4-6-11-14/h7-9,12,14H,2-6,10-11H2,1H3
InChIKeyJAWDKVDGVZWLPY-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
cycloheptyl-(2-iodophenyl)methanone
CID 115794862
cis-(1R,2S)-2-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722414
(3-chloro-2-methylphenyl)-cycloheptylmethanone
CID 107101795
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
cyclopentyl-(2,6-dimethylphenyl)methanone
CID 24724167
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
(3-bromo-2-methylphenyl)-cyclohexylmethanone
CID 114962200
(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
CID 107186637

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(2-methylphenyl)methanone?
The IUPAC name of cyclooctyl-(2-methylphenyl)methanone (CID 80602643) is cyclooctyl-(2-methylphenyl)methanone.
What is the SMILES notation for cyclooctyl-(2-methylphenyl)methanone?
The canonical SMILES for cyclooctyl-(2-methylphenyl)methanone is Cc1ccccc1C(=O)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-(2-methylphenyl)methanone?
The InChIKey is JAWDKVDGVZWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-13-9-7-8-12-15(13)16(17)14-10-5-3-2-4-6-11-14/h7-9,12,14H,2-6,10-11H2,1H3.
What are the key properties of cyclooctyl-(2-methylphenyl)methanone?
cyclooctyl-(2-methylphenyl)methanone has a molecular weight of 230.35 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(2-methylphenyl)methanone is sourced from PubChem (CID 80602643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).