2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol

C16H22F2O2 — CID 116756278

IUPAC2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol
SMILESCOC(C1CCCCC1)C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H22F2O2/c1-10-8-9-12(17)13(14(10)18)15(19)16(20-2)11-6-4-3-5-7-11/h8-9,11,15-16,19H,3-7H2,1-2H3
InChIKeyZJSWXZKLLRRPSZ-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.90
Rot. Bonds4

About 2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol

2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol (PubChem CID 116756278) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol
PubChem CID116756278
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol
SMILESCOC(C1CCCCC1)C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H22F2O2/c1-10-8-9-12(17)13(14(10)18)15(19)16(20-2)11-6-4-3-5-7-11/h8-9,11,15-16,19H,3-7H2,1-2H3
InChIKeyZJSWXZKLLRRPSZ-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171269778
2-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methoxyethanol
CID 116756379
1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol
CID 106942130
(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxyethanol
CID 116756467
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
2-cyclohexyl-2-methoxy-1-(4-methoxyphenyl)ethanol
CID 116756367
2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol
CID 116712647
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116756263
(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754388

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol?
The IUPAC name of 2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol (CID 116756278) is 2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol.
What is the SMILES notation for 2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol?
The canonical SMILES for 2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol is COC(C1CCCCC1)C(O)c1c(F)ccc(C)c1F.
What is the InChIKey of 2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol?
The InChIKey is ZJSWXZKLLRRPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-10-8-9-12(17)13(14(10)18)15(19)16(20-2)11-6-4-3-5-7-11/h8-9,11,15-16,19H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol?
2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol has a molecular weight of 284.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol is sourced from PubChem (CID 116756278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).