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

C17H25FO2 — CID 105373589

IUPAC2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2cc(F)ccc2C)CCC(C)CC1
InChIInChI=1S/C17H25FO2/c1-12-6-8-17(20-3,9-7-12)16(19)11-14-10-15(18)5-4-13(14)2/h4-5,10,12,16,19H,6-9,11H2,1-3H3
InChIKeyXDMWQCWYCRFWJL-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.63
Rot. Bonds4

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

2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (PubChem CID 105373589) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
PubChem CID105373589
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2cc(F)ccc2C)CCC(C)CC1
InChIInChI=1S/C17H25FO2/c1-12-6-8-17(20-3,9-7-12)16(19)11-14-10-15(18)5-4-13(14)2/h4-5,10,12,16,19H,6-9,11H2,1-3H3
InChIKeyXDMWQCWYCRFWJL-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373590
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 105373389
2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754421
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754525
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 114931718
2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 103039723
2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanol
CID 105377576
(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 105374348
(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754388
(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755728

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol (CID 105373589) is 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol 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)ethanol?
The InChIKey is XDMWQCWYCRFWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO2/c1-12-6-8-17(20-3,9-7-12)16(19)11-14-10-15(18)5-4-13(14)2/h4-5,10,12,16,19H,6-9,11H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol?
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol has a molecular weight of 280.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 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)ethanol is sourced from PubChem (CID 105373589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).