ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate

C15H16O4 — CID 13115524

IUPACethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate
SMILESCCOC(=O)[C@](C)(O)c1ccc2ccccc2c1O
InChIInChI=1S/C15H16O4/c1-3-19-14(17)15(2,18)12-9-8-10-6-4-5-7-11(10)13(12)16/h4-9,16,18H,3H2,1-2H3/t15-/m1/s1
InChIKeyMCISGSNWEAHQSY-OAHLLOKOSA-N
MW260.29 g/mol
LogP2.32
Rot. Bonds3

About ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate

ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate (PubChem CID 13115524) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate
PubChem CID13115524
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Nameethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate
SMILESCCOC(=O)[C@](C)(O)c1ccc2ccccc2c1O
InChIInChI=1S/C15H16O4/c1-3-19-14(17)15(2,18)12-9-8-10-6-4-5-7-11(10)13(12)16/h4-9,16,18H,3H2,1-2H3/t15-/m1/s1
InChIKeyMCISGSNWEAHQSY-OAHLLOKOSA-N
XLogP2.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate (CID 13115524) is ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate is CCOC(=O)[C@](C)(O)c1ccc2ccccc2c1O.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate?
The InChIKey is MCISGSNWEAHQSY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16O4/c1-3-19-14(17)15(2,18)12-9-8-10-6-4-5-7-11(10)13(12)16/h4-9,16,18H,3H2,1-2H3/t15-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate?
ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate has a molecular weight of 260.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-(1-hydroxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 13115524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).