cycloheptyl-(2,6-dimethoxyphenyl)methanone

C16H22O3 — CID 116810005

IUPACcycloheptyl-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)C1CCCCCC1
InChIInChI=1S/C16H22O3/c1-18-13-10-7-11-14(19-2)15(13)16(17)12-8-5-3-4-6-9-12/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeyTVQFWCSFEJAHSM-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.86
Rot. Bonds4

About cycloheptyl-(2,6-dimethoxyphenyl)methanone

cycloheptyl-(2,6-dimethoxyphenyl)methanone (PubChem CID 116810005) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is cycloheptyl-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Namecycloheptyl-(2,6-dimethoxyphenyl)methanone
PubChem CID116810005
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Namecycloheptyl-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)C1CCCCCC1
InChIInChI=1S/C16H22O3/c1-18-13-10-7-11-14(19-2)15(13)16(17)12-8-5-3-4-6-9-12/h7,10-12H,3-6,8-9H2,1-2H3
InChIKeyTVQFWCSFEJAHSM-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethoxyphenyl)-(4-methylcyclohexyl)methanone
CID 116809969
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
CID 116811452
cyclopentyl-(2,6-dimethylphenyl)methanone
CID 24724167
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
cyclopropyl-(2-methoxy-6-propylphenyl)methanone
CID 71021142
lithium;cyclohexylphosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 174401232
cyclooctyl-(3-methoxythiophen-2-yl)methanone
CID 81118417
3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
CID 10016783

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of cycloheptyl-(2,6-dimethoxyphenyl)methanone (CID 116810005) is cycloheptyl-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for cycloheptyl-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for cycloheptyl-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(2,6-dimethoxyphenyl)methanone?
The InChIKey is TVQFWCSFEJAHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-18-13-10-7-11-14(19-2)15(13)16(17)12-8-5-3-4-6-9-12/h7,10-12H,3-6,8-9H2,1-2H3.
What are the key properties of cycloheptyl-(2,6-dimethoxyphenyl)methanone?
cycloheptyl-(2,6-dimethoxyphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 116810005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).