(2-hydroxy-2-phenylpropyl) acetate

C11H14O3 — CID 13275346

IUPAC(2-hydroxy-2-phenylpropyl) acetate
SMILESCC(=O)OCC(C)(O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-9(12)14-8-11(2,13)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
InChIKeyAMBHVYDQRHIUSS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.46
Rot. Bonds3

About (2-hydroxy-2-phenylpropyl) acetate

(2-hydroxy-2-phenylpropyl) acetate (PubChem CID 13275346) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2-hydroxy-2-phenylpropyl) acetate.

Molecular Properties

Compound Name(2-hydroxy-2-phenylpropyl) acetate
PubChem CID13275346
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2-hydroxy-2-phenylpropyl) acetate
SMILESCC(=O)OCC(C)(O)c1ccccc1
InChIInChI=1S/C11H14O3/c1-9(12)14-8-11(2,13)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
InChIKeyAMBHVYDQRHIUSS-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylpropyl) acetate?
The IUPAC name of (2-hydroxy-2-phenylpropyl) acetate (CID 13275346) is (2-hydroxy-2-phenylpropyl) acetate.
What is the SMILES notation for (2-hydroxy-2-phenylpropyl) acetate?
The canonical SMILES for (2-hydroxy-2-phenylpropyl) acetate is CC(=O)OCC(C)(O)c1ccccc1.
What is the InChIKey of (2-hydroxy-2-phenylpropyl) acetate?
The InChIKey is AMBHVYDQRHIUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-9(12)14-8-11(2,13)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3.
What are the key properties of (2-hydroxy-2-phenylpropyl) acetate?
(2-hydroxy-2-phenylpropyl) acetate has a molecular weight of 194.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylpropyl) acetate is sourced from PubChem (CID 13275346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).