(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol

C15H21FO2 — CID 116754621

IUPAC(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2ccc(F)cc2)CCC(C)CC1
InChIInChI=1S/C15H21FO2/c1-11-7-9-15(18-2,10-8-11)14(17)12-3-5-13(16)6-4-12/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyQLSYJINQPYKJOG-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.45
Rot. Bonds3

About (4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol

(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol (PubChem CID 116754621) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is (4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
PubChem CID116754621
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
SMILESCOC1(C(O)c2ccc(F)cc2)CCC(C)CC1
InChIInChI=1S/C15H21FO2/c1-11-7-9-15(18-2,10-8-11)14(17)12-3-5-13(16)6-4-12/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyQLSYJINQPYKJOG-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
(1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol
CID 116754442
(2-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754393
2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754488
(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754388
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 105373589
(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755628
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 114931718
(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol
CID 116710430
2-(3,4-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754421
1-fluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70967394
1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766499

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol?
The IUPAC name of (4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol (CID 116754621) is (4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol.
What is the SMILES notation for (4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol?
The canonical SMILES for (4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol is COC1(C(O)c2ccc(F)cc2)CCC(C)CC1.
What is the InChIKey of (4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol?
The InChIKey is QLSYJINQPYKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-11-7-9-15(18-2,10-8-11)14(17)12-3-5-13(16)6-4-12/h3-6,11,14,17H,7-10H2,1-2H3.
What are the key properties of (4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol?
(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol has a molecular weight of 252.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol is sourced from PubChem (CID 116754621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).