4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol

C15H17NO3 — CID 67621990

IUPAC4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol
SMILESCC(O)CC(Oc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C15H17NO3/c1-11(17)9-15(12-3-2-8-16-10-12)19-14-6-4-13(18)5-7-14/h2-8,10-11,15,17-18H,9H2,1H3
InChIKeyAHDYXEYSLRTBMO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.68
Rot. Bonds5

About 4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol

4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol (PubChem CID 67621990) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol.

Molecular Properties

Compound Name4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol
PubChem CID67621990
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol
SMILESCC(O)CC(Oc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C15H17NO3/c1-11(17)9-15(12-3-2-8-16-10-12)19-14-6-4-13(18)5-7-14/h2-8,10-11,15,17-18H,9H2,1H3
InChIKeyAHDYXEYSLRTBMO-UHFFFAOYSA-N
XLogP2.68
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-ol
CID 70279581
3-(1-phenoxypropyl)pyridine
CID 57251428
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
3-[(3R)-1,4-dimethoxy-3-methylbutyl]pyridine
CID 177219676
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate
CID 22496088
2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine
CID 107722734
1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81393836
3-(4-bromophenoxy)-5-pyridin-3-ylhexanenitrile
CID 57088791
3-pyridin-3-ylbutan-1-ol
CID 23506282
ethyl 3-pyridin-3-ylbutanoate
CID 12727116

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol?
The IUPAC name of 4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol (CID 67621990) is 4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol.
What is the SMILES notation for 4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol?
The canonical SMILES for 4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol is CC(O)CC(Oc1ccc(O)cc1)c1cccnc1.
What is the InChIKey of 4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol?
The InChIKey is AHDYXEYSLRTBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11(17)9-15(12-3-2-8-16-10-12)19-14-6-4-13(18)5-7-14/h2-8,10-11,15,17-18H,9H2,1H3.
What are the key properties of 4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol?
4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol has a molecular weight of 259.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol is sourced from PubChem (CID 67621990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).