(1-ethoxycyclohexyl)-pyridin-3-ylmethanol

C14H21NO2 — CID 116753647

IUPAC(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
SMILESCCOC1(C(O)c2cccnc2)CCCCC1
InChIInChI=1S/C14H21NO2/c1-2-17-14(8-4-3-5-9-14)13(16)12-7-6-10-15-11-12/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyMFBHUGLYVIYPGN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.85
Rot. Bonds4

About (1-ethoxycyclohexyl)-pyridin-3-ylmethanol

(1-ethoxycyclohexyl)-pyridin-3-ylmethanol (PubChem CID 116753647) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
PubChem CID116753647
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
SMILESCCOC1(C(O)c2cccnc2)CCCCC1
InChIInChI=1S/C14H21NO2/c1-2-17-14(8-4-3-5-9-14)13(16)12-7-6-10-15-11-12/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyMFBHUGLYVIYPGN-UHFFFAOYSA-N
XLogP2.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclopentyl)-pyridin-3-ylmethanamine
CID 116761702
(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methanol
CID 116753621
(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methanol
CID 116753217
(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
CID 116756255
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198
(1-ethoxycyclopentyl)-(4-methylphenyl)methanol
CID 116753072
(1-ethoxycyclohexyl)-(1-ethylpyrazol-4-yl)methanol
CID 116753795
(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol
CID 116756160
(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 116756092
1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 116764064
1-[hydroxy(pyridin-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80604094
(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128630

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-pyridin-3-ylmethanol?
The IUPAC name of (1-ethoxycyclohexyl)-pyridin-3-ylmethanol (CID 116753647) is (1-ethoxycyclohexyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (1-ethoxycyclohexyl)-pyridin-3-ylmethanol?
The canonical SMILES for (1-ethoxycyclohexyl)-pyridin-3-ylmethanol is CCOC1(C(O)c2cccnc2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-pyridin-3-ylmethanol?
The InChIKey is MFBHUGLYVIYPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-17-14(8-4-3-5-9-14)13(16)12-7-6-10-15-11-12/h6-7,10-11,13,16H,2-5,8-9H2,1H3.
What are the key properties of (1-ethoxycyclohexyl)-pyridin-3-ylmethanol?
(1-ethoxycyclohexyl)-pyridin-3-ylmethanol has a molecular weight of 235.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 116753647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).