propan-2-yl 2-hydroxy-2-phenylacetate

C11H14O3 — CID 20071

IUPACpropan-2-yl 2-hydroxy-2-phenylacetate
SMILESCC(C)OC(=O)C(O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-8(2)14-11(13)10(12)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3
InChIKeySCJJMBMUZTUIJU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.67
Rot. Bonds3

About propan-2-yl 2-hydroxy-2-phenylacetate

propan-2-yl 2-hydroxy-2-phenylacetate (PubChem CID 20071) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxy-2-phenylacetate
PubChem CID20071
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namepropan-2-yl 2-hydroxy-2-phenylacetate
SMILESCC(C)OC(=O)C(O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-8(2)14-11(13)10(12)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3
InChIKeySCJJMBMUZTUIJU-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2-hydroxy-2-phenylacetate 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

Cyclandelate
CID 2893
Mandelic Acid
CID 1292
(S)-mandelic acid
CID 439616
Benzilic acid
CID 6463
(+-)-3-Phenyllactic acid
CID 3848
Isopropyl Phenylacetate
CID 62553
(-)-Mandelic acid
CID 11914
3-Phenyllactic acid, (S)-
CID 444718
(+-)-Cyclohexylphenylglycolic acid
CID 97700
Ethyl mandelate
CID 13050
Methoxyphenylacetic acid
CID 107202
Atrolactic acid
CID 1303

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-2-phenylacetate?
The IUPAC name of propan-2-yl 2-hydroxy-2-phenylacetate (CID 20071) is propan-2-yl 2-hydroxy-2-phenylacetate.
What is the SMILES notation for propan-2-yl 2-hydroxy-2-phenylacetate?
The canonical SMILES for propan-2-yl 2-hydroxy-2-phenylacetate is CC(C)OC(=O)C(O)c1ccccc1.
What is the InChIKey of propan-2-yl 2-hydroxy-2-phenylacetate?
The InChIKey is SCJJMBMUZTUIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(2)14-11(13)10(12)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3.
What are the key properties of propan-2-yl 2-hydroxy-2-phenylacetate?
propan-2-yl 2-hydroxy-2-phenylacetate has a molecular weight of 194.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 20071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).