2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol

C14H23NO3 — CID 114053788

IUPAC2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol
SMILESCCOC(CC)(CC)C(O)c1ncccc1OC
InChIInChI=1S/C14H23NO3/c1-5-14(6-2,18-7-3)13(16)12-11(17-4)9-8-10-15-12/h8-10,13,16H,5-7H2,1-4H3
InChIKeyNXXWUPJUAWPGCP-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.72
Rot. Bonds7

About 2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol

2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol (PubChem CID 114053788) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol
PubChem CID114053788
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol
SMILESCCOC(CC)(CC)C(O)c1ncccc1OC
InChIInChI=1S/C14H23NO3/c1-5-14(6-2,18-7-3)13(16)12-11(17-4)9-8-10-15-12/h8-10,13,16H,5-7H2,1-4H3
InChIKeyNXXWUPJUAWPGCP-UHFFFAOYSA-N
XLogP2.72
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethoxymethyl)-3-methoxypyridine
CID 121221666
2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol
CID 116752532
2-(4-fluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053745
1-(3-methoxy-2-pyridinyl)-2-phenylethanol
CID 114053626
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
2-(dichloromethyl)-3-methoxypyridine
CID 141354456
1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol
CID 114053795
1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752634
1-(2,6-dimethoxyphenyl)-2-ethoxy-2-methylbutan-1-ol
CID 116810260
2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053743
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol
CID 114053750

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol?
The IUPAC name of 2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol (CID 114053788) is 2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol is CCOC(CC)(CC)C(O)c1ncccc1OC.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol?
The InChIKey is NXXWUPJUAWPGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-14(6-2,18-7-3)13(16)12-11(17-4)9-8-10-15-12/h8-10,13,16H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol?
2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 114053788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).