[2-(cyclohexylmethoxy)-3-pyridinyl]methanol

C13H19NO2 — CID 62383389

IUPAC[2-(cyclohexylmethoxy)-3-pyridinyl]methanol
SMILESOCc1cccnc1OCC1CCCCC1
InChIInChI=1S/C13H19NO2/c15-9-12-7-4-8-14-13(12)16-10-11-5-2-1-3-6-11/h4,7-8,11,15H,1-3,5-6,9-10H2
InChIKeyYSESKPCNOCZUFX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.53
Rot. Bonds4

About [2-(cyclohexylmethoxy)-3-pyridinyl]methanol

[2-(cyclohexylmethoxy)-3-pyridinyl]methanol (PubChem CID 62383389) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [2-(cyclohexylmethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(cyclohexylmethoxy)-3-pyridinyl]methanol
PubChem CID62383389
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[2-(cyclohexylmethoxy)-3-pyridinyl]methanol
SMILESOCc1cccnc1OCC1CCCCC1
InChIInChI=1S/C13H19NO2/c15-9-12-7-4-8-14-13(12)16-10-11-5-2-1-3-6-11/h4,7-8,11,15H,1-3,5-6,9-10H2
InChIKeyYSESKPCNOCZUFX-UHFFFAOYSA-N
XLogP2.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
CID 155241
4-(Benzyloxy)pyridine N-oxide
CID 295871
(6-Phenoxypyridin-3-yl)methanol
CID 2776502
2-(Benzyloxy)pyridine
CID 295859
[4-(2-Phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol
CID 23723241
8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-ynoic acid methyl ester
CID 11674387
5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-pyridine
CID 10636648
3-(4-Butoxy-phenyl)-pyridine
CID 11817019
[2-(Cyclohexyloxy)pyridin-4-yl]methanamine
CID 16780874
3-(Phenoxymethyl)pyridine
CID 12474431
2-(Dodecyloxy)pyridine
CID 96440
B-[2-(Phenylmethoxy)-3-pyridinyl]boronic acid
CID 44755161

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethoxy)-3-pyridinyl]methanol?
The IUPAC name of [2-(cyclohexylmethoxy)-3-pyridinyl]methanol (CID 62383389) is [2-(cyclohexylmethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(cyclohexylmethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [2-(cyclohexylmethoxy)-3-pyridinyl]methanol is OCc1cccnc1OCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethoxy)-3-pyridinyl]methanol?
The InChIKey is YSESKPCNOCZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-9-12-7-4-8-14-13(12)16-10-11-5-2-1-3-6-11/h4,7-8,11,15H,1-3,5-6,9-10H2.
What are the key properties of [2-(cyclohexylmethoxy)-3-pyridinyl]methanol?
[2-(cyclohexylmethoxy)-3-pyridinyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 62383389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).