ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate

C13H18O3 — CID 12717588

IUPACethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
SMILESCCOC(=O)[C@H](O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H18O3/c1-4-16-13(15)12(14)11-7-5-10(6-8-11)9(2)3/h5-9,12,14H,4H2,1-3H3/t12-/m1/s1
InChIKeyJVNUHPNUJLOTPY-GFCCVEGCSA-N
MW222.28 g/mol
LogP2.41
Rot. Bonds4

About ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate

ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate (PubChem CID 12717588) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
PubChem CID12717588
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
SMILESCCOC(=O)[C@H](O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H18O3/c1-4-16-13(15)12(14)11-7-5-10(6-8-11)9(2)3/h5-9,12,14H,4H2,1-3H3/t12-/m1/s1
InChIKeyJVNUHPNUJLOTPY-GFCCVEGCSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl 2-[hydroxy-(4-propan-2-ylphenyl)methyl]-3-methylbutanoate
CID 62398184
ethyl 2-(4-propan-2-ylphenyl)pentanoate
CID 83042532
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117353289
ethyl 2-(3-bromo-4-propan-2-ylphenyl)-2-hydroxyacetate
CID 117485139

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate (CID 12717588) is ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate is CCOC(=O)[C@H](O)c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
The InChIKey is JVNUHPNUJLOTPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-16-13(15)12(14)11-7-5-10(6-8-11)9(2)3/h5-9,12,14H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate?
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate has a molecular weight of 222.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate is sourced from PubChem (CID 12717588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).