(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol

C16H25NO2 — CID 116754837

IUPAC(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
SMILESCCOC1(C(O)c2cnccc2C)CCC(C)CC1
InChIInChI=1S/C16H25NO2/c1-4-19-16(8-5-12(2)6-9-16)15(18)14-11-17-10-7-13(14)3/h7,10-12,15,18H,4-6,8-9H2,1-3H3
InChIKeyOKAFFLODNMFDQC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.41
Rot. Bonds4

About (1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol

(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol (PubChem CID 116754837) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
PubChem CID116754837
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
SMILESCCOC1(C(O)c2cnccc2C)CCC(C)CC1
InChIInChI=1S/C16H25NO2/c1-4-19-16(8-5-12(2)6-9-16)15(18)14-11-17-10-7-13(14)3/h7,10-12,15,18H,4-6,8-9H2,1-3H3
InChIKeyOKAFFLODNMFDQC-UHFFFAOYSA-N
XLogP3.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116755515
(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methanol
CID 116753217
(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
CID 116756255
(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686834
(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol
CID 116754822
(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
CID 116754068
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 103143523
(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
CID 116756007
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-methylphenyl)methanol
CID 116755399
[(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105275756
2,3-dihydro-1-benzofuran-7-yl-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114744802

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol (CID 116754837) is (1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol is CCOC1(C(O)c2cnccc2C)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol?
The InChIKey is OKAFFLODNMFDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-19-16(8-5-12(2)6-9-16)15(18)14-11-17-10-7-13(14)3/h7,10-12,15,18H,4-6,8-9H2,1-3H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol?
(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol has a molecular weight of 263.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 116754837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).