1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol

C16H19NO3 — CID 115940517

IUPAC1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2ccc(C)cc2OC)cn1
InChIInChI=1S/C16H19NO3/c1-4-14(18)13-7-6-12(10-17-13)20-15-8-5-11(2)9-16(15)19-3/h5-10,14,18H,4H2,1-3H3
InChIKeyVHXYQCIOVMZMKA-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.63
Rot. Bonds5

About 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol

1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol (PubChem CID 115940517) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol
PubChem CID115940517
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Oc2ccc(C)cc2OC)cn1
InChIInChI=1S/C16H19NO3/c1-4-14(18)13-7-6-12(10-17-13)20-15-8-5-11(2)9-16(15)19-3/h5-10,14,18H,4H2,1-3H3
InChIKeyVHXYQCIOVMZMKA-UHFFFAOYSA-N
XLogP3.63
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939114
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127673
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940567
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one
CID 115939078
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568
(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120
(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
CID 103939260
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
(1R)-1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939075
1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol
CID 107743552
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 107284909
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol (CID 115940517) is 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Oc2ccc(C)cc2OC)cn1.
What is the InChIKey of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol?
The InChIKey is VHXYQCIOVMZMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-14(18)13-7-6-12(10-17-13)20-15-8-5-11(2)9-16(15)19-3/h5-10,14,18H,4H2,1-3H3.
What are the key properties of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol?
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol has a molecular weight of 273.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).