2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone

C17H23FO2 — CID 105373389

IUPAC2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2cc(F)ccc2C)CCC(C)CC1
InChIInChI=1S/C17H23FO2/c1-12-6-8-17(20-3,9-7-12)16(19)11-14-10-15(18)5-4-13(14)2/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyRLXFNDGMHNQQMT-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.84
Rot. Bonds4

About 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone

2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone (PubChem CID 105373389) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
PubChem CID105373389
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2cc(F)ccc2C)CCC(C)CC1
InChIInChI=1S/C17H23FO2/c1-12-6-8-17(20-3,9-7-12)16(19)11-14-10-15(18)5-4-13(14)2/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyRLXFNDGMHNQQMT-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749232
2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
(4-fluoro-2-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749257
2-(2,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750334
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 105373589
2-(2-chloro-4-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750372
1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376737
[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350504
1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373590
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 116604069
2-(3-bromo-4-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750208

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone (CID 105373389) is 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone is COC1(C(=O)Cc2cc(F)ccc2C)CCC(C)CC1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone?
The InChIKey is RLXFNDGMHNQQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2/c1-12-6-8-17(20-3,9-7-12)16(19)11-14-10-15(18)5-4-13(14)2/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone?
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone has a molecular weight of 278.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 105373389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).