3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol

C18H23NO2 — CID 105121600

IUPAC3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol
SMILESCCCOc1cncc(C(O)CCc2cccc(C)c2)c1
InChIInChI=1S/C18H23NO2/c1-3-9-21-17-11-16(12-19-13-17)18(20)8-7-15-6-4-5-14(2)10-15/h4-6,10-13,18,20H,3,7-9H2,1-2H3
InChIKeyUSTYSYHFTVIJRE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.85
Rot. Bonds7

About 3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol

3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol (PubChem CID 105121600) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol
PubChem CID105121600
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol
SMILESCCCOc1cncc(C(O)CCc2cccc(C)c2)c1
InChIInChI=1S/C18H23NO2/c1-3-9-21-17-11-16(12-19-13-17)18(20)8-7-15-6-4-5-14(2)10-15/h4-6,10-13,18,20H,3,7-9H2,1-2H3
InChIKeyUSTYSYHFTVIJRE-UHFFFAOYSA-N
XLogP3.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-1-(4-propoxyphenyl)propan-1-ol
CID 105095182
4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
CID 105121586
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
3-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 62795595
(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829147
[2-phenyl-1-(5-propoxy-3-pyridinyl)ethyl]hydrazine
CID 105195381
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
CID 115829129
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105096422
2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103449515
(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829191

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol?
The IUPAC name of 3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol (CID 105121600) is 3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol?
The canonical SMILES for 3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol is CCCOc1cncc(C(O)CCc2cccc(C)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol?
The InChIKey is USTYSYHFTVIJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-9-21-17-11-16(12-19-13-17)18(20)8-7-15-6-4-5-14(2)10-15/h4-6,10-13,18,20H,3,7-9H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol?
3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 105121600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).