4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol

C13H21NO2 — CID 105115139

IUPAC4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
SMILESCCOCCC(O)Cc1ccc(CC)cn1
InChIInChI=1S/C13H21NO2/c1-3-11-5-6-12(14-10-11)9-13(15)7-8-16-4-2/h5-6,10,13,15H,3-4,7-9H2,1-2H3
InChIKeyMOOSIAACECLBJD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.97
Rot. Bonds7

About 4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol

4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol (PubChem CID 105115139) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
PubChem CID105115139
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
SMILESCCOCCC(O)Cc1ccc(CC)cn1
InChIInChI=1S/C13H21NO2/c1-3-11-5-6-12(14-10-11)9-13(15)7-8-16-4-2/h5-6,10,13,15H,3-4,7-9H2,1-2H3
InChIKeyMOOSIAACECLBJD-UHFFFAOYSA-N
XLogP1.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethyl-2-pyridinyl)-4-phenoxybutan-2-ol
CID 79745898
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
CID 105115083
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115822379
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
CID 79745603
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine
CID 105168889
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745103
1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 115822218
[1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105324383
4-ethoxy-1-(4-methoxyphenyl)butan-2-ol
CID 62606919

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol?
The IUPAC name of 4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol (CID 105115139) is 4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol?
The canonical SMILES for 4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol is CCOCCC(O)Cc1ccc(CC)cn1.
What is the InChIKey of 4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol?
The InChIKey is MOOSIAACECLBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-11-5-6-12(14-10-11)9-13(15)7-8-16-4-2/h5-6,10,13,15H,3-4,7-9H2,1-2H3.
What are the key properties of 4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol?
4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 105115139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).