3-phenoxy-1-pyridin-4-ylpropan-1-ol

C14H15NO2 — CID 115003137

IUPAC3-phenoxy-1-pyridin-4-ylpropan-1-ol
SMILESOC(CCOc1ccccc1)c1ccncc1
InChIInChI=1S/C14H15NO2/c16-14(12-6-9-15-10-7-12)8-11-17-13-4-2-1-3-5-13/h1-7,9-10,14,16H,8,11H2
InChIKeyAVWNBRJVDULBFT-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.58
Rot. Bonds5

About 3-phenoxy-1-pyridin-4-ylpropan-1-ol

3-phenoxy-1-pyridin-4-ylpropan-1-ol (PubChem CID 115003137) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-phenoxy-1-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-phenoxy-1-pyridin-4-ylpropan-1-ol
PubChem CID115003137
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-phenoxy-1-pyridin-4-ylpropan-1-ol
SMILESOC(CCOc1ccccc1)c1ccncc1
InChIInChI=1S/C14H15NO2/c16-14(12-6-9-15-10-7-12)8-11-17-13-4-2-1-3-5-13/h1-7,9-10,14,16H,8,11H2
InChIKeyAVWNBRJVDULBFT-UHFFFAOYSA-N
XLogP2.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 62790964
4-(5-phenoxy-1-phenylpentyl)pyridine
CID 117067769
4-phenoxy-1-pyridin-4-ylbutan-1-amine
CID 114991659
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067
1,5-diphenoxypentan-3-ol
CID 5314309
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
CID 116693290
1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol
CID 116505724
3-(3-ethylphenoxy)-1-phenylpropan-1-ol
CID 116693327
1-(4-fluoro-3-methylphenyl)-3-phenoxypropan-1-ol
CID 62608597
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
CID 116543492
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-phenoxy-1-pyridin-4-ylpropan-1-ol (CID 115003137) is 3-phenoxy-1-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-phenoxy-1-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-phenoxy-1-pyridin-4-ylpropan-1-ol is OC(CCOc1ccccc1)c1ccncc1.
What is the InChIKey of 3-phenoxy-1-pyridin-4-ylpropan-1-ol?
The InChIKey is AVWNBRJVDULBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14(12-6-9-15-10-7-12)8-11-17-13-4-2-1-3-5-13/h1-7,9-10,14,16H,8,11H2.
What are the key properties of 3-phenoxy-1-pyridin-4-ylpropan-1-ol?
3-phenoxy-1-pyridin-4-ylpropan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 115003137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).