methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate

C15H13FO3 — CID 139255821

IUPACmethyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate
SMILESCOC(=O)C(O)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FO3/c1-19-14(17)15(18,11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h2-10,18H,1H3
InChIKeyXOPOQEQBIKBRBX-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.23
Rot. Bonds3

About methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate

methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate (PubChem CID 139255821) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate
PubChem CID139255821
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Namemethyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate
SMILESCOC(=O)C(O)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FO3/c1-19-14(17)15(18,11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h2-10,18H,1H3
InChIKeyXOPOQEQBIKBRBX-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate?
The IUPAC name of methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate (CID 139255821) is methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate is COC(=O)C(O)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate?
The InChIKey is XOPOQEQBIKBRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-19-14(17)15(18,11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h2-10,18H,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate?
methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate has a molecular weight of 260.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 139255821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).