ethyl 2-hydroxy-2-phenylbutanoate

C12H16O3 — CID 11160080

IUPACethyl 2-hydroxy-2-phenylbutanoate
SMILESCCOC(=O)C(O)(CC)c1ccccc1
InChIInChI=1S/C12H16O3/c1-3-12(14,11(13)15-4-2)10-8-6-5-7-9-10/h5-9,14H,3-4H2,1-2H3
InChIKeyMFURVCXABHZSQB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-hydroxy-2-phenylbutanoate

ethyl 2-hydroxy-2-phenylbutanoate (PubChem CID 11160080) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-phenylbutanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-phenylbutanoate
PubChem CID11160080
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethyl 2-hydroxy-2-phenylbutanoate
SMILESCCOC(=O)C(O)(CC)c1ccccc1
InChIInChI=1S/C12H16O3/c1-3-12(14,11(13)15-4-2)10-8-6-5-7-9-10/h5-9,14H,3-4H2,1-2H3
InChIKeyMFURVCXABHZSQB-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-hydroxy-2-phenylbutanoate 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 2-hydroxy-2-phenylbutanoate?
The IUPAC name of ethyl 2-hydroxy-2-phenylbutanoate (CID 11160080) is ethyl 2-hydroxy-2-phenylbutanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-phenylbutanoate?
The canonical SMILES for ethyl 2-hydroxy-2-phenylbutanoate is CCOC(=O)C(O)(CC)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-2-phenylbutanoate?
The InChIKey is MFURVCXABHZSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-12(14,11(13)15-4-2)10-8-6-5-7-9-10/h5-9,14H,3-4H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-phenylbutanoate?
ethyl 2-hydroxy-2-phenylbutanoate has a molecular weight of 208.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-phenylbutanoate is sourced from PubChem (CID 11160080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).