ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate

C20H19NO4 — CID 54373784

IUPACethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate
SMILESCCOC(=O)C(O)c1ccc(-c2ccc3ccccc3c2)nc1OC
InChIInChI=1S/C20H19NO4/c1-3-25-20(23)18(22)16-10-11-17(21-19(16)24-2)15-9-8-13-6-4-5-7-14(13)12-15/h4-12,18,22H,3H2,1-2H3
InChIKeyUVBKAPVKSHOHHH-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.51
Rot. Bonds5

About ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate

ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate (PubChem CID 54373784) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate
PubChem CID54373784
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Nameethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate
SMILESCCOC(=O)C(O)c1ccc(-c2ccc3ccccc3c2)nc1OC
InChIInChI=1S/C20H19NO4/c1-3-25-20(23)18(22)16-10-11-17(21-19(16)24-2)15-9-8-13-6-4-5-7-14(13)12-15/h4-12,18,22H,3H2,1-2H3
InChIKeyUVBKAPVKSHOHHH-UHFFFAOYSA-N
XLogP3.51
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate (CID 54373784) is ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate is CCOC(=O)C(O)c1ccc(-c2ccc3ccccc3c2)nc1OC.
What is the InChIKey of ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate?
The InChIKey is UVBKAPVKSHOHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-25-20(23)18(22)16-10-11-17(21-19(16)24-2)15-9-8-13-6-4-5-7-14(13)12-15/h4-12,18,22H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate?
ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate has a molecular weight of 337.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)acetate is sourced from PubChem (CID 54373784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).