(2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate

C24H22O4 — CID 88805859

IUPAC(2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate
SMILESO=C(Cc1ccccc1)OC(=O)C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H22O4/c25-22(16-19-10-4-1-5-11-19)28-23(26)24(27,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,27H,16-18H2
InChIKeyVQZBSJYGUIDFPA-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.52
Rot. Bonds7

About (2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate

(2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate (PubChem CID 88805859) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Name(2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate
PubChem CID88805859
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name(2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate
SMILESO=C(Cc1ccccc1)OC(=O)C(O)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H22O4/c25-22(16-19-10-4-1-5-11-19)28-23(26)24(27,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,27H,16-18H2
InChIKeyVQZBSJYGUIDFPA-UHFFFAOYSA-N
XLogP3.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(2-phenylacetyl) 2-chloro-2-methylpropanedioate
CID 173141166
tris(2-phenylacetyl) ethane-1,1,1-tricarboxylate
CID 173141327
2-hydroxy-2-[2-oxo-2-(2-phenylacetyl)oxyethyl]butanedioic acid
CID 91125922
(2-phenylacetyl) propanoate
CID 91029268
(2-phenylacetyl) 2-phenylacetate;pyridine
CID 88818246
(2-phenylacetyl) 2-cyanoacetate
CID 162512622
(2-phenylacetyl)oxy formate
CID 173278028
dibenzyl (2R)-2-benzyl-2-hydroxybutanedioate
CID 102160237
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
(2-phenylacetyl) butanoate
CID 54432060
(4-amino-4-oxobut-1-en-2-yl) 2-phenylacetate
CID 175301597
methyl 2-benzyl-3-bromo-2-hydroxypropanoate
CID 77389738

Frequently Asked Questions

What is the IUPAC name of (2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate?
The IUPAC name of (2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate (CID 88805859) is (2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for (2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for (2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate is O=C(Cc1ccccc1)OC(=O)C(O)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate?
The InChIKey is VQZBSJYGUIDFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c25-22(16-19-10-4-1-5-11-19)28-23(26)24(27,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,27H,16-18H2.
What are the key properties of (2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate?
(2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate has a molecular weight of 374.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylacetyl) 2-benzyl-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 88805859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).