ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate

C16H20O4 — CID 18924139

IUPACethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate
SMILESCCOC(=O)C(C)(O)C1(OC)C=CC2=CCC=CC2=C1
InChIInChI=1S/C16H20O4/c1-4-20-14(17)15(2,18)16(19-3)10-9-12-7-5-6-8-13(12)11-16/h6-11,18H,4-5H2,1-3H3
InChIKeyUODIXLAURMPCDL-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.07
Rot. Bonds4

About ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate

ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate (PubChem CID 18924139) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate
PubChem CID18924139
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Nameethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate
SMILESCCOC(=O)C(C)(O)C1(OC)C=CC2=CCC=CC2=C1
InChIInChI=1S/C16H20O4/c1-4-20-14(17)15(2,18)16(19-3)10-9-12-7-5-6-8-13(12)11-16/h6-11,18H,4-5H2,1-3H3
InChIKeyUODIXLAURMPCDL-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate?
The IUPAC name of ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate (CID 18924139) is ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate is CCOC(=O)C(C)(O)C1(OC)C=CC2=CCC=CC2=C1.
What is the InChIKey of ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate?
The InChIKey is UODIXLAURMPCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-4-20-14(17)15(2,18)16(19-3)10-9-12-7-5-6-8-13(12)11-16/h6-11,18H,4-5H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate?
ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate has a molecular weight of 276.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-methoxy-6H-naphthalen-2-yl)propanoate is sourced from PubChem (CID 18924139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).