cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone

C16H22O2 — CID 82049373

IUPACcyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CCCCC2)cc1C
InChIInChI=1S/C16H22O2/c1-11-10-15(18-3)12(2)9-14(11)16(17)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3
InChIKeyJVYSWSFPAYJACR-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.08
Rot. Bonds3

About cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone

cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 82049373) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID82049373
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namecyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CCCCC2)cc1C
InChIInChI=1S/C16H22O2/c1-11-10-15(18-3)12(2)9-14(11)16(17)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3
InChIKeyJVYSWSFPAYJACR-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
cyclohexyl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82552755
(3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116568899
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 115797651
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclopentyl-(2,4-dimethoxy-3-methylphenyl)methanone
CID 82296372
(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
CID 116917726
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone (CID 82049373) is cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)C2CCCCC2)cc1C.
What is the InChIKey of cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is JVYSWSFPAYJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-10-15(18-3)12(2)9-14(11)16(17)13-7-5-4-6-8-13/h9-10,13H,4-8H2,1-3H3.
What are the key properties of cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone?
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 82049373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).