(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol

C15H22FNO2 — CID 116755152

IUPAC(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol
SMILESCCOC1(C(O)c2cncc(F)c2)CCCC(C)C1
InChIInChI=1S/C15H22FNO2/c1-3-19-15(6-4-5-11(2)8-15)14(18)12-7-13(16)10-17-9-12/h7,9-11,14,18H,3-6,8H2,1-2H3
InChIKeyLKUMAPSMURWVSX-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.24
Rot. Bonds4

About (1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol

(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol (PubChem CID 116755152) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol
PubChem CID116755152
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol
SMILESCCOC1(C(O)c2cncc(F)c2)CCCC(C)C1
InChIInChI=1S/C15H22FNO2/c1-3-19-15(6-4-5-11(2)8-15)14(18)12-7-13(16)10-17-9-12/h7,9-11,14,18H,3-6,8H2,1-2H3
InChIKeyLKUMAPSMURWVSX-UHFFFAOYSA-N
XLogP3.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230
1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767893
(5-fluoro-3-pyridinyl)-(1-methoxycyclopentyl)methanol
CID 104610410
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 116755046
(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methanol
CID 116753621
[(1-ethoxycycloheptyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105278498
1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 116770894
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine
CID 116768147
(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 116756092
(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755312
(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol (CID 116755152) is (1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol is CCOC1(C(O)c2cncc(F)c2)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is LKUMAPSMURWVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-19-15(6-4-5-11(2)8-15)14(18)12-7-13(16)10-17-9-12/h7,9-11,14,18H,3-6,8H2,1-2H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol?
(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol has a molecular weight of 267.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 116755152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).