ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate

C16H17NO3 — CID 134840705

IUPACethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H17NO3/c1-2-20-16(19)15(18)14(12-8-4-3-5-9-12)13-10-6-7-11-17-13/h3-11,14-15,18H,2H2,1H3
InChIKeyCEQFJKULNHHINZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.14
Rot. Bonds5

About ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate

ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate (PubChem CID 134840705) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
PubChem CID134840705
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(O)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H17NO3/c1-2-20-16(19)15(18)14(12-8-4-3-5-9-12)13-10-6-7-11-17-13/h3-11,14-15,18H,2H2,1H3
InChIKeyCEQFJKULNHHINZ-UHFFFAOYSA-N
XLogP2.14
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate (CID 134840705) is ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate is CCOC(=O)C(O)C(c1ccccc1)c1ccccn1.
What is the InChIKey of ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate?
The InChIKey is CEQFJKULNHHINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-20-16(19)15(18)14(12-8-4-3-5-9-12)13-10-6-7-11-17-13/h3-11,14-15,18H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate?
ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate has a molecular weight of 271.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 134840705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).