[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate

C22H20O3 — CID 736048

IUPAC[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1
InChIKeyGXLZCXZLVDUDHP-NRFANRHFSA-N
MW332.40 g/mol
LogP4.23
Rot. Bonds5

About [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate

[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate (PubChem CID 736048) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate.

Molecular Properties

Compound Name[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate
PubChem CID736048
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1
InChIKeyGXLZCXZLVDUDHP-NRFANRHFSA-N
XLogP4.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate?
The IUPAC name of [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate (CID 736048) is [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate.
What is the SMILES notation for [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate?
The canonical SMILES for [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate is CC(=O)O[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate?
The InChIKey is GXLZCXZLVDUDHP-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1.
What are the key properties of [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate?
[(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate has a molecular weight of 332.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate is sourced from PubChem (CID 736048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).