(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol

C17H27NO2 — CID 116755515

IUPAC(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
SMILESCCOC1(C(O)c2cnccc2C)CCC(C)(C)CC1
InChIInChI=1S/C17H27NO2/c1-5-20-17(9-7-16(3,4)8-10-17)15(19)14-12-18-11-6-13(14)2/h6,11-12,15,19H,5,7-10H2,1-4H3
InChIKeyULDHCVUVMAPGDY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.80
Rot. Bonds4

About (1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol

(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol (PubChem CID 116755515) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
PubChem CID116755515
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
SMILESCCOC1(C(O)c2cnccc2C)CCC(C)(C)CC1
InChIInChI=1S/C17H27NO2/c1-5-20-17(9-7-16(3,4)8-10-17)15(19)14-12-18-11-6-13(14)2/h6,11-12,15,19H,5,7-10H2,1-4H3
InChIKeyULDHCVUVMAPGDY-UHFFFAOYSA-N
XLogP3.80
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methanol
CID 116753217
(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116754837
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol
CID 116755399
(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
CID 116756255
(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
CID 116754068
(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
CID 116756007
[(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105275756
(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 116755475
2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 130961576
(4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol
CID 114645902
(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
CID 116753647
(4-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methanol
CID 66271184

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol?
The IUPAC name of (1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol (CID 116755515) is (1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol?
The canonical SMILES for (1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol is CCOC1(C(O)c2cnccc2C)CCC(C)(C)CC1.
What is the InChIKey of (1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol?
The InChIKey is ULDHCVUVMAPGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-20-17(9-7-16(3,4)8-10-17)15(19)14-12-18-11-6-13(14)2/h6,11-12,15,19H,5,7-10H2,1-4H3.
What are the key properties of (1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol?
(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol has a molecular weight of 277.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 116755515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).