(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol

C13H19NO3 — CID 116754068

IUPAC(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
SMILESCOC1(C(O)c2cnccc2C)CCOCC1
InChIInChI=1S/C13H19NO3/c1-10-3-6-14-9-11(10)12(15)13(16-2)4-7-17-8-5-13/h3,6,9,12,15H,4-5,7-8H2,1-2H3
InChIKeyIPOJTJHYXPYURW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.62
Rot. Bonds3

About (4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol

(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol (PubChem CID 116754068) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
PubChem CID116754068
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
SMILESCOC1(C(O)c2cnccc2C)CCOCC1
InChIInChI=1S/C13H19NO3/c1-10-3-6-14-9-11(10)12(15)13(16-2)4-7-17-8-5-13/h3,6,9,12,15H,4-5,7-8H2,1-2H3
InChIKeyIPOJTJHYXPYURW-UHFFFAOYSA-N
XLogP1.62
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
CID 116756007
(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methanol
CID 116753217
(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116755515
(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol
CID 116756029
(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116754837
(4-methoxyoxan-4-yl)-(3-methylthiophen-2-yl)methanol
CID 116753823
(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
CID 66272876
(4-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methanol
CID 66271184
(4-methoxyoxan-4-yl)-(2-methylquinolin-6-yl)methanol
CID 116753998
(3-bromofuran-2-yl)-(4-methoxyoxan-4-yl)methanol
CID 116754061
isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 103143523
1-(4-methoxyoxan-4-yl)ethanol
CID 116753835

Frequently Asked Questions

What is the IUPAC name of (4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol?
The IUPAC name of (4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol (CID 116754068) is (4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol?
The canonical SMILES for (4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol is COC1(C(O)c2cnccc2C)CCOCC1.
What is the InChIKey of (4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol?
The InChIKey is IPOJTJHYXPYURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-3-6-14-9-11(10)12(15)13(16-2)4-7-17-8-5-13/h3,6,9,12,15H,4-5,7-8H2,1-2H3.
What are the key properties of (4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol?
(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol has a molecular weight of 237.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 116754068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).