1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one

C15H15NO3 — CID 144880810

IUPAC1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cncc(Oc2ccc(CO)cc2)c1
InChIInChI=1S/C15H15NO3/c1-2-15(18)12-7-14(9-16-8-12)19-13-5-3-11(10-17)4-6-13/h3-9,17H,2,10H2,1H3
InChIKeyOOSYXVGDGXCYIV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.96
Rot. Bonds5

About 1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one

1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one (PubChem CID 144880810) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one
PubChem CID144880810
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cncc(Oc2ccc(CO)cc2)c1
InChIInChI=1S/C15H15NO3/c1-2-15(18)12-7-14(9-16-8-12)19-13-5-3-11(10-17)4-6-13/h3-9,17H,2,10H2,1H3
InChIKeyOOSYXVGDGXCYIV-UHFFFAOYSA-N
XLogP2.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one
CID 174736151
5-[4-[2-(methylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 68748683
3,5-bis[4-(hydroxymethyl)phenoxy]benzoyl chloride
CID 102596241
1-(5-sulfanyl-3-pyridinyl)propan-1-one
CID 143328134
5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63850017
4-(4-propanoylphenoxy)benzonitrile
CID 103604232
5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
CID 63852234
1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
CID 114065895
3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 105124335
methyl 5-(4-nitrophenoxy)pyridine-3-carboxylate
CID 22040734
5-(4-propylphenoxy)pyridine-3-carbaldehyde
CID 113469461
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one (CID 144880810) is 1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one is CCC(=O)c1cncc(Oc2ccc(CO)cc2)c1.
What is the InChIKey of 1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one?
The InChIKey is OOSYXVGDGXCYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-15(18)12-7-14(9-16-8-12)19-13-5-3-11(10-17)4-6-13/h3-9,17H,2,10H2,1H3.
What are the key properties of 1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one?
1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one has a molecular weight of 257.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(hydroxymethyl)phenoxy]-3-pyridinyl]propan-1-one is sourced from PubChem (CID 144880810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).