2-phenylethyl 2-hydroxypropanoate

C11H14O3 — CID 21115836

IUPAC2-phenylethyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OCCc1ccccc1
InChIInChI=1S/C11H14O3/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyIYXFDAOFSCZADY-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.15
Rot. Bonds4

About 2-phenylethyl 2-hydroxypropanoate

2-phenylethyl 2-hydroxypropanoate (PubChem CID 21115836) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-phenylethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name2-phenylethyl 2-hydroxypropanoate
PubChem CID21115836
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-phenylethyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OCCc1ccccc1
InChIInChI=1S/C11H14O3/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyIYXFDAOFSCZADY-UHFFFAOYSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenylethyl 2-hydroxypropanoate 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 2-phenylethyl 2-hydroxypropanoate?
The IUPAC name of 2-phenylethyl 2-hydroxypropanoate (CID 21115836) is 2-phenylethyl 2-hydroxypropanoate.
What is the SMILES notation for 2-phenylethyl 2-hydroxypropanoate?
The canonical SMILES for 2-phenylethyl 2-hydroxypropanoate is CC(O)C(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-hydroxypropanoate?
The InChIKey is IYXFDAOFSCZADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of 2-phenylethyl 2-hydroxypropanoate?
2-phenylethyl 2-hydroxypropanoate has a molecular weight of 194.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-hydroxypropanoate is sourced from PubChem (CID 21115836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).