2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate

C22H19FO4 — CID 24786855

IUPAC2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate
SMILESCOCCOC(=O)c1c(O)cc(-c2ccccc2)c(F)c1-c1ccccc1
InChIInChI=1S/C22H19FO4/c1-26-12-13-27-22(25)20-18(24)14-17(15-8-4-2-5-9-15)21(23)19(20)16-10-6-3-7-11-16/h2-11,14,24H,12-13H2,1H3
InChIKeyRJLVSWFVHSIPBA-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.67
Rot. Bonds6

About 2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate

2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate (PubChem CID 24786855) has the molecular formula C22H19FO4 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate.

Molecular Properties

Compound Name2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate
PubChem CID24786855
Molecular FormulaC22H19FO4
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate
SMILESCOCCOC(=O)c1c(O)cc(-c2ccccc2)c(F)c1-c1ccccc1
InChIInChI=1S/C22H19FO4/c1-26-12-13-27-22(25)20-18(24)14-17(15-8-4-2-5-9-15)21(23)19(20)16-10-6-3-7-11-16/h2-11,14,24H,12-13H2,1H3
InChIKeyRJLVSWFVHSIPBA-UHFFFAOYSA-N
XLogP4.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate?
The IUPAC name of 2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate (CID 24786855) is 2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate.
What is the SMILES notation for 2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate?
The canonical SMILES for 2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate is COCCOC(=O)c1c(O)cc(-c2ccccc2)c(F)c1-c1ccccc1.
What is the InChIKey of 2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate?
The InChIKey is RJLVSWFVHSIPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO4/c1-26-12-13-27-22(25)20-18(24)14-17(15-8-4-2-5-9-15)21(23)19(20)16-10-6-3-7-11-16/h2-11,14,24H,12-13H2,1H3.
What are the key properties of 2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate?
2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate has a molecular weight of 366.39 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-fluoro-6-hydroxy-2,4-diphenylbenzoate is sourced from PubChem (CID 24786855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).