2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone

C16H20F2O2 — CID 116749232

IUPAC2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(F)cc2F)CCC(C)CC1
InChIInChI=1S/C16H20F2O2/c1-11-5-7-16(20-2,8-6-11)15(19)9-12-3-4-13(17)10-14(12)18/h3-4,10-11H,5-9H2,1-2H3
InChIKeyMNEXKTOVZRBUKM-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.67
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone

2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone (PubChem CID 116749232) has the molecular formula C16H20F2O2 and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
PubChem CID116749232
Molecular FormulaC16H20F2O2
Molecular Weight282.33 g/mol
Exact Mass282.14
IUPAC Name2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(F)cc2F)CCC(C)CC1
InChIInChI=1S/C16H20F2O2/c1-11-5-7-16(20-2,8-6-11)15(19)9-12-3-4-13(17)10-14(12)18/h3-4,10-11H,5-9H2,1-2H3
InChIKeyMNEXKTOVZRBUKM-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750334
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 105373389
2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanone
CID 79062774
2-(2,4-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749944
2-(2-chloro-4-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750372
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116707049
(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749257
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062448
2-(4-bromo-2-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450671
1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65401902
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350504

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone (CID 116749232) is 2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone is COC1(C(=O)Cc2ccc(F)cc2F)CCC(C)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone?
The InChIKey is MNEXKTOVZRBUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O2/c1-11-5-7-16(20-2,8-6-11)15(19)9-12-3-4-13(17)10-14(12)18/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone?
2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone has a molecular weight of 282.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 116749232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).