[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate

C19H20O4 — CID 4883701

IUPAC[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate
SMILESCC(C)c1ccc(C(=O)COC(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H20O4/c1-13(2)14-8-10-15(11-9-14)17(20)12-23-19(22)18(21)16-6-4-3-5-7-16/h3-11,13,18,21H,12H2,1-2H3
InChIKeyPLWAGUZRQYWOOP-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.27
Rot. Bonds6

About [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate

[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate (PubChem CID 4883701) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate
PubChem CID4883701
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate
SMILESCC(C)c1ccc(C(=O)COC(=O)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H20O4/c1-13(2)14-8-10-15(11-9-14)17(20)12-23-19(22)18(21)16-6-4-3-5-7-16/h3-11,13,18,21H,12H2,1-2H3
InChIKeyPLWAGUZRQYWOOP-UHFFFAOYSA-N
XLogP3.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate (CID 4883701) is [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate is CC(C)c1ccc(C(=O)COC(=O)C(O)c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate?
The InChIKey is PLWAGUZRQYWOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-13(2)14-8-10-15(11-9-14)17(20)12-23-19(22)18(21)16-6-4-3-5-7-16/h3-11,13,18,21H,12H2,1-2H3.
What are the key properties of [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate?
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate has a molecular weight of 312.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 4883701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).