2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol

C12H17NO2 — CID 105100853

IUPAC2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol
SMILESCOc1ncccc1C(O)CC1CCC1
InChIInChI=1S/C12H17NO2/c1-15-12-10(6-3-7-13-12)11(14)8-9-4-2-5-9/h3,6-7,9,11,14H,2,4-5,8H2,1H3
InChIKeyYILLOXDBHOOEBF-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.31
Rot. Bonds4

About 2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol

2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol (PubChem CID 105100853) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol
PubChem CID105100853
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol
SMILESCOc1ncccc1C(O)CC1CCC1
InChIInChI=1S/C12H17NO2/c1-15-12-10(6-3-7-13-12)11(14)8-9-4-2-5-9/h3,6-7,9,11,14H,2,4-5,8H2,1H3
InChIKeyYILLOXDBHOOEBF-UHFFFAOYSA-N
XLogP2.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 105081457
2-cyclopropyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 55297501
2-cyclopentyl-1-quinolin-8-ylethanol
CID 65149248
[(3-ethylcyclohexyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 105313706
(3,5-dimethylcyclohexyl)-(2-methoxy-3-pyridinyl)methanol
CID 105102871
1-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115288
1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol
CID 105124708
1-cycloheptyl-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105176373
2-(2,6-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
CID 105084678
2-cyclobutyl-1-(4-methoxynaphthalen-1-yl)ethanol
CID 103165335
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol (CID 105100853) is 2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol is COc1ncccc1C(O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol?
The InChIKey is YILLOXDBHOOEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-12-10(6-3-7-13-12)11(14)8-9-4-2-5-9/h3,6-7,9,11,14H,2,4-5,8H2,1H3.
What are the key properties of 2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol?
2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol has a molecular weight of 207.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 105100853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).