1-(3-ethoxy-4-pyridinyl)ethanol

C9H13NO2 — CID 115013248

IUPAC1-(3-ethoxy-4-pyridinyl)ethanol
SMILESCCOc1cnccc1C(C)O
InChIInChI=1S/C9H13NO2/c1-3-12-9-6-10-5-4-8(9)7(2)11/h4-7,11H,3H2,1-2H3
InChIKeyFZFUUKWFVYIQTR-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.53
Rot. Bonds3

About 1-(3-ethoxy-4-pyridinyl)ethanol

1-(3-ethoxy-4-pyridinyl)ethanol (PubChem CID 115013248) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(3-ethoxy-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-ethoxy-4-pyridinyl)ethanol
PubChem CID115013248
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(3-ethoxy-4-pyridinyl)ethanol
SMILESCCOc1cnccc1C(C)O
InChIInChI=1S/C9H13NO2/c1-3-12-9-6-10-5-4-8(9)7(2)11/h4-7,11H,3H2,1-2H3
InChIKeyFZFUUKWFVYIQTR-UHFFFAOYSA-N
XLogP1.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid
CID 83879712
1-[3-(methoxymethoxy)-4-pyridinyl]propan-1-ol
CID 174389352
3-ethoxy-4-propoxypyridine
CID 90961233
1-(4-ethoxy-3-pyridinyl)butan-1-ol
CID 165175799
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409
1-(3-ethoxy-4-pyridinyl)ethanone
CID 83873268
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
3-ethoxy-4-propylpyridine
CID 176934400
ethane;4-ethoxy-3-methylpyridine
CID 177233068
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-pyridinyl)ethanol?
The IUPAC name of 1-(3-ethoxy-4-pyridinyl)ethanol (CID 115013248) is 1-(3-ethoxy-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-ethoxy-4-pyridinyl)ethanol?
The canonical SMILES for 1-(3-ethoxy-4-pyridinyl)ethanol is CCOc1cnccc1C(C)O.
What is the InChIKey of 1-(3-ethoxy-4-pyridinyl)ethanol?
The InChIKey is FZFUUKWFVYIQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-12-9-6-10-5-4-8(9)7(2)11/h4-7,11H,3H2,1-2H3.
What are the key properties of 1-(3-ethoxy-4-pyridinyl)ethanol?
1-(3-ethoxy-4-pyridinyl)ethanol has a molecular weight of 167.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-pyridinyl)ethanol is sourced from PubChem (CID 115013248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).