(3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate

C21H19NO3 — CID 11034977

IUPAC(3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate
SMILESCC(C(=O)OCc1ncccc1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-21(16-9-4-2-5-10-16,17-11-6-3-7-12-17)20(24)25-15-18-19(23)13-8-14-22-18/h2-14,23H,15H2,1H3
InChIKeyOURROUNTYYEUAG-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.84
Rot. Bonds5

About (3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate

(3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate (PubChem CID 11034977) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate.

Molecular Properties

Compound Name(3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate
PubChem CID11034977
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name(3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate
SMILESCC(C(=O)OCc1ncccc1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-21(16-9-4-2-5-10-16,17-11-6-3-7-12-17)20(24)25-15-18-19(23)13-8-14-22-18/h2-14,23H,15H2,1H3
InChIKeyOURROUNTYYEUAG-UHFFFAOYSA-N
XLogP3.84
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate?
The IUPAC name of (3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate (CID 11034977) is (3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate.
What is the SMILES notation for (3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate?
The canonical SMILES for (3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate is CC(C(=O)OCc1ncccc1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate?
The InChIKey is OURROUNTYYEUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-21(16-9-4-2-5-10-16,17-11-6-3-7-12-17)20(24)25-15-18-19(23)13-8-14-22-18/h2-14,23H,15H2,1H3.
What are the key properties of (3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate?
(3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate has a molecular weight of 333.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridinyl)methyl 2,2-diphenylpropanoate is sourced from PubChem (CID 11034977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).