1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol

C16H19NO2 — CID 116757045

IUPAC1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol
SMILESCCOC(c1ccccc1)C(O)Cc1ccncc1
InChIInChI=1S/C16H19NO2/c1-2-19-16(14-6-4-3-5-7-14)15(18)12-13-8-10-17-11-9-13/h3-11,15-16,18H,2,12H2,1H3
InChIKeyNEMWPUKGEJFLTA-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.76
Rot. Bonds6

About 1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol

1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol (PubChem CID 116757045) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol
PubChem CID116757045
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol
SMILESCCOC(c1ccccc1)C(O)Cc1ccncc1
InChIInChI=1S/C16H19NO2/c1-2-19-16(14-6-4-3-5-7-14)15(18)12-13-8-10-17-11-9-13/h3-11,15-16,18H,2,12H2,1H3
InChIKeyNEMWPUKGEJFLTA-UHFFFAOYSA-N
XLogP2.76
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
CID 115814018
2-ethoxy-1,2-diphenylethanol
CID 3767197
1-(2,2-difluoroethoxy)-1,3-diphenylpropan-2-ol
CID 82006560
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 116757187
3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 116757101
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 102618300
3-methoxy-1-pyridin-4-ylpentan-2-ol
CID 116710698
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
3-propyl-1-pyridin-4-ylhexan-2-ol
CID 82995140
(3R,6S)-1,8-diethoxy-2,3,6,7-tetrahydroxy-1,8-diphenyloctane-4,5-dione
CID 54296354
1-ethoxy-1-phenyl-N-(1-phenylpropan-2-yl)propan-2-amine
CID 110176857

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol (CID 116757045) is 1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol is CCOC(c1ccccc1)C(O)Cc1ccncc1.
What is the InChIKey of 1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol?
The InChIKey is NEMWPUKGEJFLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-19-16(14-6-4-3-5-7-14)15(18)12-13-8-10-17-11-9-13/h3-11,15-16,18H,2,12H2,1H3.
What are the key properties of 1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol?
1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 116757045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).