2-cyclohexyl-2,2-dimethoxy-1-phenylethanone

C16H22O3 — CID 139798779

IUPAC2-cyclohexyl-2,2-dimethoxy-1-phenylethanone
SMILESCOC(OC)(C(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3
InChIKeyUMVAAVNNDNJQMG-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.44
Rot. Bonds5

About 2-cyclohexyl-2,2-dimethoxy-1-phenylethanone

2-cyclohexyl-2,2-dimethoxy-1-phenylethanone (PubChem CID 139798779) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclohexyl-2,2-dimethoxy-1-phenylethanone.

Molecular Properties

Compound Name2-cyclohexyl-2,2-dimethoxy-1-phenylethanone
PubChem CID139798779
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-cyclohexyl-2,2-dimethoxy-1-phenylethanone
SMILESCOC(OC)(C(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3
InChIKeyUMVAAVNNDNJQMG-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
CID 22163386
2-benzoylcyclotridecan-1-one
CID 101422484
benzoic acid;methoxymethylcyclohexane
CID 175415905
2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione
CID 11708930
methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
benzoic acid;methylcyclopentane
CID 68907828
methyl 2-benzoyl-2-dimethoxyphosphoryl-3-oxo-3-phenylpropanoate
CID 12938764
2-chloro-2-methoxy-1-phenylpropan-1-one
CID 89336045
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2,2-dimethoxy-1-phenylethanone?
The IUPAC name of 2-cyclohexyl-2,2-dimethoxy-1-phenylethanone (CID 139798779) is 2-cyclohexyl-2,2-dimethoxy-1-phenylethanone.
What is the SMILES notation for 2-cyclohexyl-2,2-dimethoxy-1-phenylethanone?
The canonical SMILES for 2-cyclohexyl-2,2-dimethoxy-1-phenylethanone is COC(OC)(C(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2,2-dimethoxy-1-phenylethanone?
The InChIKey is UMVAAVNNDNJQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-2,2-dimethoxy-1-phenylethanone?
2-cyclohexyl-2,2-dimethoxy-1-phenylethanone has a molecular weight of 262.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,2-dimethoxy-1-phenylethanone is sourced from PubChem (CID 139798779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).