2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol

C16H22F2O2 — CID 114931718

IUPAC2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2c(F)cccc2F)CCC(C)CC1
InChIInChI=1S/C16H22F2O2/c1-11-6-8-16(20-2,9-7-11)15(19)10-12-13(17)4-3-5-14(12)18/h3-5,11,15,19H,6-10H2,1-2H3
InChIKeyPAFHWHMPXFHMAN-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.46
Rot. Bonds4

About 2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol

2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (PubChem CID 114931718) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
PubChem CID114931718
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2c(F)cccc2F)CCC(C)CC1
InChIInChI=1S/C16H22F2O2/c1-11-6-8-16(20-2,9-7-11)15(19)10-12-13(17)4-3-5-14(12)18/h3-5,11,15,19H,6-10H2,1-2H3
InChIKeyPAFHWHMPXFHMAN-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754421
2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755966
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754525
2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 103039723
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 105373589
2-(3-bromophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754566
(2-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754393
2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 114932736
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452391
(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
[2-(2-chloro-3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277013
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (CID 114931718) is 2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol is COC1(C(O)Cc2c(F)cccc2F)CCC(C)CC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The InChIKey is PAFHWHMPXFHMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-11-6-8-16(20-2,9-7-11)15(19)10-12-13(17)4-3-5-14(12)18/h3-5,11,15,19H,6-10H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol has a molecular weight of 284.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol is sourced from PubChem (CID 114931718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).