3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol

C15H25NO2 — CID 105066192

IUPAC3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1ccncc1OC
InChIInChI=1S/C15H25NO2/c1-4-6-7-12(5-2)10-14(17)13-8-9-16-11-15(13)18-3/h8-9,11-12,14,17H,4-7,10H2,1-3H3
InChIKeyZPDWEJNEMCKCKH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.73
Rot. Bonds8

About 3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol

3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol (PubChem CID 105066192) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol
PubChem CID105066192
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1ccncc1OC
InChIInChI=1S/C15H25NO2/c1-4-6-7-12(5-2)10-14(17)13-8-9-16-11-15(13)18-3/h8-9,11-12,14,17H,4-7,10H2,1-3H3
InChIKeyZPDWEJNEMCKCKH-UHFFFAOYSA-N
XLogP3.73
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220
2-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066190
1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol
CID 104817350
3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol
CID 105066324
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
1-[3-(methoxymethoxy)-4-pyridinyl]propan-1-ol
CID 174389352
3-ethyl-1-(2-methylphenyl)heptan-1-ol
CID 63411121
3-ethyl-1-quinoxalin-5-ylheptan-1-ol
CID 105080613
1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105103285
5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine
CID 105065946
3-ethyl-1-(2-methylsulfanylphenyl)heptan-1-ol
CID 114981298
2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066235

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol?
The IUPAC name of 3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol (CID 105066192) is 3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol.
What is the SMILES notation for 3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol?
The canonical SMILES for 3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol is CCCCC(CC)CC(O)c1ccncc1OC.
What is the InChIKey of 3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol?
The InChIKey is ZPDWEJNEMCKCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-6-7-12(5-2)10-14(17)13-8-9-16-11-15(13)18-3/h8-9,11-12,14,17H,4-7,10H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol?
3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol is sourced from PubChem (CID 105066192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).