2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol

C17H24F2O2 — CID 116755577

IUPAC2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(F)c(F)c2)CCC(C)(C)CC1
InChIInChI=1S/C17H24F2O2/c1-16(2)6-8-17(21-3,9-7-16)15(20)11-12-4-5-13(18)14(19)10-12/h4-5,10,15,20H,6-9,11H2,1-3H3
InChIKeyRLAPXXATSXFFBX-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.85
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol

2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol (PubChem CID 116755577) has the molecular formula C17H24F2O2 and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
PubChem CID116755577
Molecular FormulaC17H24F2O2
Molecular Weight298.37 g/mol
Exact Mass298.17
IUPAC Name2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(F)c(F)c2)CCC(C)(C)CC1
InChIInChI=1S/C17H24F2O2/c1-16(2)6-8-17(21-3,9-7-16)15(20)11-12-4-5-13(18)14(19)10-12/h4-5,10,15,20H,6-9,11H2,1-3H3
InChIKeyRLAPXXATSXFFBX-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754421
2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755700
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755725
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-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 106867603
2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 82920040
(4-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755605
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 105373589

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol (CID 116755577) is 2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol is COC1(C(O)Cc2ccc(F)c(F)c2)CCC(C)(C)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The InChIKey is RLAPXXATSXFFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O2/c1-16(2)6-8-17(21-3,9-7-16)15(20)11-12-4-5-13(18)14(19)10-12/h4-5,10,15,20H,6-9,11H2,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol has a molecular weight of 298.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 116755577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).