ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate

C18H17NO3 — CID 53468125

IUPACethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate
SMILESCCOC(=O)[C@@](O)(c1ccc2ccccc2c1)c1ccc[nH]1
InChIInChI=1S/C18H17NO3/c1-2-22-17(20)18(21,16-8-5-11-19-16)15-10-9-13-6-3-4-7-14(13)12-15/h3-12,19,21H,2H2,1H3/t18-/m1/s1
InChIKeyMINCZEHSEBWTGZ-GOSISDBHSA-N
MW295.34 g/mol
LogP2.97
Rot. Bonds4

About ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate

ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate (PubChem CID 53468125) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate
PubChem CID53468125
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate
SMILESCCOC(=O)[C@@](O)(c1ccc2ccccc2c1)c1ccc[nH]1
InChIInChI=1S/C18H17NO3/c1-2-22-17(20)18(21,16-8-5-11-19-16)15-10-9-13-6-3-4-7-14(13)12-15/h3-12,19,21H,2H2,1H3/t18-/m1/s1
InChIKeyMINCZEHSEBWTGZ-GOSISDBHSA-N
XLogP2.97
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate (CID 53468125) is ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate is CCOC(=O)[C@@](O)(c1ccc2ccccc2c1)c1ccc[nH]1.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate?
The InChIKey is MINCZEHSEBWTGZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-22-17(20)18(21,16-8-5-11-19-16)15-10-9-13-6-3-4-7-14(13)12-15/h3-12,19,21H,2H2,1H3/t18-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate?
ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate has a molecular weight of 295.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-naphthalen-2-yl-2-(1H-pyrrol-2-yl)acetate is sourced from PubChem (CID 53468125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).