1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol

C12H17NO2 — CID 66271830

IUPAC1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
SMILESCc1ccncc1C(O)CC1CCCO1
InChIInChI=1S/C12H17NO2/c1-9-4-5-13-8-11(9)12(14)7-10-3-2-6-15-10/h4-5,8,10,12,14H,2-3,6-7H2,1H3
InChIKeyVMEFXGQXVWZQML-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.99
Rot. Bonds3

About 1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol

1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol (PubChem CID 66271830) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
PubChem CID66271830
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
SMILESCc1ccncc1C(O)CC1CCCO1
InChIInChI=1S/C12H17NO2/c1-9-4-5-13-8-11(9)12(14)7-10-3-2-6-15-10/h4-5,8,10,12,14H,2-3,6-7H2,1H3
InChIKeyVMEFXGQXVWZQML-UHFFFAOYSA-N
XLogP1.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 104737979
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
2-(oxolan-2-yl)-1-pyrazin-2-ylethanol
CID 62608593
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 62606205
1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 105066320
(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
CID 66272876
3-[1-hydrazinyl-2-(oxan-2-yl)ethyl]pyridin-4-amine
CID 105267384
cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523
(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
CID 66273091

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol (CID 66271830) is 1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol is Cc1ccncc1C(O)CC1CCCO1.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol?
The InChIKey is VMEFXGQXVWZQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-5-13-8-11(9)12(14)7-10-3-2-6-15-10/h4-5,8,10,12,14H,2-3,6-7H2,1H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol?
1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol has a molecular weight of 207.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol is sourced from PubChem (CID 66271830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).