1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one

C14H13NO2 — CID 174654711

IUPAC1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(O)cn2)cc1
InChIInChI=1S/C14H13NO2/c1-2-14(17)11-5-3-10(4-6-11)13-8-7-12(16)9-15-13/h3-9,16H,2H2,1H3
InChIKeyMFYGINCMMMLALS-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.05
Rot. Bonds3

About 1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one

1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one (PubChem CID 174654711) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one
PubChem CID174654711
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(O)cn2)cc1
InChIInChI=1S/C14H13NO2/c1-2-14(17)11-5-3-10(4-6-11)13-8-7-12(16)9-15-13/h3-9,16H,2H2,1H3
InChIKeyMFYGINCMMMLALS-UHFFFAOYSA-N
XLogP3.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(5-hydroxy-2-pyridinyl)benzoate
CID 53229560
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
CID 67889873
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
1-[4-(1-methylpyrazol-3-yl)phenyl]propan-1-one
CID 103131579
[4-(5-hydroxy-2-pyridinyl)phenyl]methanesulfinic acid
CID 174604479
6-(5-hydroxy-2-pyridinyl)pyridin-3-ol
CID 135830900
1-(4-quinolin-3-ylphenyl)propan-1-one
CID 23005158
6-(6-methoxy-3-pyridinyl)pyridin-3-ol
CID 83128352
1-[4-[4-(2-bromoacetyl)phenyl]phenyl]propan-1-one
CID 123680970
1-[4-(2-hydroxyphenyl)phenyl]propan-1-one
CID 19877656
4-(5-ethoxy-2-pyridinyl)benzoic acid
CID 110282358

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one (CID 174654711) is 1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one is CCC(=O)c1ccc(-c2ccc(O)cn2)cc1.
What is the InChIKey of 1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one?
The InChIKey is MFYGINCMMMLALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-14(17)11-5-3-10(4-6-11)13-8-7-12(16)9-15-13/h3-9,16H,2H2,1H3.
What are the key properties of 1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one?
1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one has a molecular weight of 227.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one is sourced from PubChem (CID 174654711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).