methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate

C13H12O3 — CID 11195280

IUPACmethyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate
SMILESCOC(=O)[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C13H12O3/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12,14H,1H3/t12-/m1/s1
InChIKeyFYYNCCJQFYAANR-GFCCVEGCSA-N
MW216.24 g/mol
LogP2.05
Rot. Bonds2

About methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate

methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate (PubChem CID 11195280) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate
PubChem CID11195280
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Namemethyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate
SMILESCOC(=O)[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C13H12O3/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12,14H,1H3/t12-/m1/s1
InChIKeyFYYNCCJQFYAANR-GFCCVEGCSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate?
The IUPAC name of methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate (CID 11195280) is methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate is COC(=O)[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate?
The InChIKey is FYYNCCJQFYAANR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12O3/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12,14H,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate?
methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate has a molecular weight of 216.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate is sourced from PubChem (CID 11195280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).