3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol

C17H21NO3 — CID 82185290

IUPAC3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
SMILESCCOc1cc(CCC(O)c2ccccn2)ccc1OC
InChIInChI=1S/C17H21NO3/c1-3-21-17-12-13(8-10-16(17)20-2)7-9-15(19)14-6-4-5-11-18-14/h4-6,8,10-12,15,19H,3,7,9H2,1-2H3
InChIKeyUIZQVWNBLRCANP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.16
Rot. Bonds7

About 3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol

3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol (PubChem CID 82185290) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
PubChem CID82185290
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
SMILESCCOc1cc(CCC(O)c2ccccn2)ccc1OC
InChIInChI=1S/C17H21NO3/c1-3-21-17-12-13(8-10-16(17)20-2)7-9-15(19)14-6-4-5-11-18-14/h4-6,8,10-12,15,19H,3,7,9H2,1-2H3
InChIKeyUIZQVWNBLRCANP-UHFFFAOYSA-N
XLogP3.16
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185318
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185316
(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 93476587
3-(3-ethoxy-4-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 82185500
3-(3-ethoxy-4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 82185656
(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 129383049
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 82185525
3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43729895
3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol
CID 82185179
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol (CID 82185290) is 3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol is CCOc1cc(CCC(O)c2ccccn2)ccc1OC.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The InChIKey is UIZQVWNBLRCANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-21-17-12-13(8-10-16(17)20-2)7-9-15(19)14-6-4-5-11-18-14/h4-6,8,10-12,15,19H,3,7,9H2,1-2H3.
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 82185290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).