(1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol

C15H23NO2 — CID 116754442

IUPAC(1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol
SMILESCOC1(C(O)c2ccc(C)nc2)CCC(C)CC1
InChIInChI=1S/C15H23NO2/c1-11-6-8-15(18-3,9-7-11)14(17)13-5-4-12(2)16-10-13/h4-5,10-11,14,17H,6-9H2,1-3H3
InChIKeyJRMUASZNBNXIAN-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.02
Rot. Bonds3

About (1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol

(1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 116754442) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol
PubChem CID116754442
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol
SMILESCOC1(C(O)c2ccc(C)nc2)CCC(C)CC1
InChIInChI=1S/C15H23NO2/c1-11-6-8-15(18-3,9-7-11)14(17)13-5-4-12(2)16-10-13/h4-5,10-11,14,17H,6-9H2,1-3H3
InChIKeyJRMUASZNBNXIAN-UHFFFAOYSA-N
XLogP3.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
2,3-dihydro-1,4-benzodioxin-6-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754488
[1-(aminomethyl)-4-methylcyclohexyl]-(6-methoxy-3-pyridinyl)methanol
CID 114938871
(2-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754393
isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 103143523
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 116766472
(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanol
CID 107192253
1-[hydroxy-(6-methyl-3-pyridinyl)methyl]cycloheptane-1-carbonitrile
CID 104823982
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine
CID 116766074
[4-(aminomethyl)oxan-4-yl]-(6-methyl-3-pyridinyl)methanol
CID 104824016
(2-methylcyclopropyl)-(6-methyl-3-pyridinyl)methanamine
CID 65422768

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of (1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol (CID 116754442) is (1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol is COC1(C(O)c2ccc(C)nc2)CCC(C)CC1.
What is the InChIKey of (1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is JRMUASZNBNXIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-6-8-15(18-3,9-7-11)14(17)13-5-4-12(2)16-10-13/h4-5,10-11,14,17H,6-9H2,1-3H3.
What are the key properties of (1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol?
(1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 249.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4-methylcyclohexyl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 116754442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).