1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol

C12H19NO3 — CID 145366870

IUPAC1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol
SMILESCCOc1cc(CC(O)CC)cc(OC)n1
InChIInChI=1S/C12H19NO3/c1-4-10(14)6-9-7-11(15-3)13-12(8-9)16-5-2/h7-8,10,14H,4-6H2,1-3H3
InChIKeyIETHJZSSKWMIQB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.80
Rot. Bonds6

About 1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol

1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol (PubChem CID 145366870) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol
PubChem CID145366870
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol
SMILESCCOc1cc(CC(O)CC)cc(OC)n1
InChIInChI=1S/C12H19NO3/c1-4-10(14)6-9-7-11(15-3)13-12(8-9)16-5-2/h7-8,10,14H,4-6H2,1-3H3
InChIKeyIETHJZSSKWMIQB-UHFFFAOYSA-N
XLogP1.80
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxy-6-propan-2-yloxy-4-pyridinyl)butan-2-ol
CID 145366896
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
(2-ethoxy-6-propan-2-yloxy-4-pyridinyl)methanol
CID 130406900
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
1-(3,5-dichlorophenyl)butan-2-ol
CID 71163653
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 66327344
1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
CID 60907779
3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol
CID 66331506
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
CID 170889186
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103375297
2-[4-(2-hydroxybutyl)phenoxy]-1-(3-methoxyphenyl)ethanone
CID 123650262

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol?
The IUPAC name of 1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol (CID 145366870) is 1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol.
What is the SMILES notation for 1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol?
The canonical SMILES for 1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol is CCOc1cc(CC(O)CC)cc(OC)n1.
What is the InChIKey of 1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol?
The InChIKey is IETHJZSSKWMIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-10(14)6-9-7-11(15-3)13-12(8-9)16-5-2/h7-8,10,14H,4-6H2,1-3H3.
What are the key properties of 1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol?
1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-6-methoxy-4-pyridinyl)butan-2-ol is sourced from PubChem (CID 145366870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).