2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde

C25H30N2O3 — CID 158188022

IUPAC2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde
SMILESCCc1ccc(CCO)nc1.CCc1ccc(CCOc2ccc(C=O)cc2)nc1
InChIInChI=1S/C16H17NO2.C9H13NO/c1-2-13-3-6-15(17-11-13)9-10-19-16-7-4-14(12-18)5-8-16;1-2-8-3-4-9(5-6-11)10-7-8/h3-8,11-12H,2,9-10H2,1H3;3-4,7,11H,2,5-6H2,1H3
InChIKeyFZJQXEWRODQDAB-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.26
Rot. Bonds9

About 2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde

2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde (PubChem CID 158188022) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde
PubChem CID158188022
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde
SMILESCCc1ccc(CCO)nc1.CCc1ccc(CCOc2ccc(C=O)cc2)nc1
InChIInChI=1S/C16H17NO2.C9H13NO/c1-2-13-3-6-15(17-11-13)9-10-19-16-7-4-14(12-18)5-8-16;1-2-8-3-4-9(5-6-11)10-7-8/h3-8,11-12H,2,9-10H2,1H3;3-4,7,11H,2,5-6H2,1H3
InChIKeyFZJQXEWRODQDAB-UHFFFAOYSA-N
XLogP4.26
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid
CID 87789776
2-bromo-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]prop-2-enoic acid
CID 141245555
2-[2-(4-bromophenoxy)ethyl]-5-ethylpyridine;sulfuric acid
CID 131698614
(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 14211277
(5Z)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydron;chloride
CID 87789988
(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine
CID 66926885
ethane;(Z)-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]-N-methyl-2-methylsulfanylprop-2-enamide;formaldehyde
CID 142844864
ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate
CID 53249782
2-[2-(4-bromophenoxy)ethyl]-5-ethylpyridine;hydroxy sulfite
CID 171030580
4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide
CID 11711221
S-[1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propan-2-yl] N-formylcarbamothioate
CID 134221784
(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 67367096

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde (CID 158188022) is 2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde is CCc1ccc(CCO)nc1.CCc1ccc(CCOc2ccc(C=O)cc2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde?
The InChIKey is FZJQXEWRODQDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C9H13NO/c1-2-13-3-6-15(17-11-13)9-10-19-16-7-4-14(12-18)5-8-16;1-2-8-3-4-9(5-6-11)10-7-8/h3-8,11-12H,2,9-10H2,1H3;3-4,7,11H,2,5-6H2,1H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde?
2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde has a molecular weight of 406.53 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde is sourced from PubChem (CID 158188022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).