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

C16H19NO3 — CID 105096059

IUPAC1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol
SMILESCOc1ccc(C(O)CCc2cccnc2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-19-13-6-7-14(16(10-13)20-2)15(18)8-5-12-4-3-9-17-11-12/h3-4,6-7,9-11,15,18H,5,8H2,1-2H3
InChIKeyCMMBOELQABWVOH-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.77
Rot. Bonds6

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

1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol (PubChem CID 105096059) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol
PubChem CID105096059
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol
SMILESCOc1ccc(C(O)CCc2cccnc2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-19-13-6-7-14(16(10-13)20-2)15(18)8-5-12-4-3-9-17-11-12/h3-4,6-7,9-11,15,18H,5,8H2,1-2H3
InChIKeyCMMBOELQABWVOH-UHFFFAOYSA-N
XLogP2.77
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105092299
1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105115823
1-(2-fluoro-4-methoxyphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 103397402
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
2-(3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066229
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-(2-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 103397475
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 114978934
1-(2-fluorophenyl)-3-pyridin-3-ylpropan-1-ol
CID 105083957
N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 112511023
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol (CID 105096059) is 1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol is COc1ccc(C(O)CCc2cccnc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol?
The InChIKey is CMMBOELQABWVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-13-6-7-14(16(10-13)20-2)15(18)8-5-12-4-3-9-17-11-12/h3-4,6-7,9-11,15,18H,5,8H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol?
1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol has a molecular weight of 273.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 105096059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).