3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol

C18H23NO3 — CID 82185318

IUPAC3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
SMILESCCOc1ccc(CCC(O)c2ccccn2)cc1OCC
InChIInChI=1S/C18H23NO3/c1-3-21-17-11-9-14(13-18(17)22-4-2)8-10-16(20)15-7-5-6-12-19-15/h5-7,9,11-13,16,20H,3-4,8,10H2,1-2H3
InChIKeyICRCZXHDFCIJRD-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.55
Rot. Bonds8

About 3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol

3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol (PubChem CID 82185318) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
PubChem CID82185318
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
SMILESCCOc1ccc(CCC(O)c2ccccn2)cc1OCC
InChIInChI=1S/C18H23NO3/c1-3-21-17-11-9-14(13-18(17)22-4-2)8-10-16(20)15-7-5-6-12-19-15/h5-7,9,11-13,16,20H,3-4,8,10H2,1-2H3
InChIKeyICRCZXHDFCIJRD-UHFFFAOYSA-N
XLogP3.55
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185290
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185316
3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol
CID 82185179
(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 93476587
4-amino-1-(3,4-diethoxyphenyl)heptan-3-ol
CID 83923629
3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 82185525
3-(3-ethoxy-4-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 82185500
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
3-(3-ethoxy-4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 82185656
4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
CID 83975818
1,2-diethoxy-4-propylbenzene
CID 3995471
(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 129383049

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol (CID 82185318) is 3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol is CCOc1ccc(CCC(O)c2ccccn2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The InChIKey is ICRCZXHDFCIJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-21-17-11-9-14(13-18(17)22-4-2)8-10-16(20)15-7-5-6-12-19-15/h5-7,9,11-13,16,20H,3-4,8,10H2,1-2H3.
What are the key properties of 3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 82185318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).