(3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one

C14H13NO3 — CID 92504039

IUPAC(3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(C[C@@H](O)c1ccncc1)c1ccccc1O
InChIInChI=1S/C14H13NO3/c16-12-4-2-1-3-11(12)14(18)9-13(17)10-5-7-15-8-6-10/h1-8,13,16-17H,9H2/t13-/m1/s1
InChIKeyJIBFZVZYHKPKKW-CYBMUJFWSA-N
MW243.26 g/mol
LogP2.09
Rot. Bonds4

About (3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one

(3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one (PubChem CID 92504039) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one
PubChem CID92504039
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(C[C@@H](O)c1ccncc1)c1ccccc1O
InChIInChI=1S/C14H13NO3/c16-12-4-2-1-3-11(12)14(18)9-13(17)10-5-7-15-8-6-10/h1-8,13,16-17H,9H2/t13-/m1/s1
InChIKeyJIBFZVZYHKPKKW-CYBMUJFWSA-N
XLogP2.09
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of (3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one (CID 92504039) is (3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for (3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for (3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one is O=C(C[C@@H](O)c1ccncc1)c1ccccc1O.
What is the InChIKey of (3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is JIBFZVZYHKPKKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13NO3/c16-12-4-2-1-3-11(12)14(18)9-13(17)10-5-7-15-8-6-10/h1-8,13,16-17H,9H2/t13-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one?
(3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 243.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 92504039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).