methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate

C22H19FO3 — CID 138973935

IUPACmethyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate
SMILESCCc1c(O)c(C(=O)OC)c(-c2ccccc2)c(F)c1-c1ccccc1
InChIInChI=1S/C22H19FO3/c1-3-16-17(14-10-6-4-7-11-14)20(23)18(15-12-8-5-9-13-15)19(21(16)24)22(25)26-2/h4-13,24H,3H2,1-2H3
InChIKeyQLFWJSKXEXCWER-UHFFFAOYSA-N
MW350.39 g/mol
LogP5.21
Rot. Bonds4

About methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate

methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate (PubChem CID 138973935) has the molecular formula C22H19FO3 and a molecular weight of 350.39 g/mol. Its IUPAC name is methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate.

Molecular Properties

Compound Namemethyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate
PubChem CID138973935
Molecular FormulaC22H19FO3
Molecular Weight350.39 g/mol
Exact Mass350.13
IUPAC Namemethyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate
SMILESCCc1c(O)c(C(=O)OC)c(-c2ccccc2)c(F)c1-c1ccccc1
InChIInChI=1S/C22H19FO3/c1-3-16-17(14-10-6-4-7-11-14)20(23)18(15-12-8-5-9-13-15)19(21(16)24)22(25)26-2/h4-13,24H,3H2,1-2H3
InChIKeyQLFWJSKXEXCWER-UHFFFAOYSA-N
XLogP5.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate?
The IUPAC name of methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate (CID 138973935) is methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate.
What is the SMILES notation for methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate?
The canonical SMILES for methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate is CCc1c(O)c(C(=O)OC)c(-c2ccccc2)c(F)c1-c1ccccc1.
What is the InChIKey of methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate?
The InChIKey is QLFWJSKXEXCWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO3/c1-3-16-17(14-10-6-4-7-11-14)20(23)18(15-12-8-5-9-13-15)19(21(16)24)22(25)26-2/h4-13,24H,3H2,1-2H3.
What are the key properties of methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate?
methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate has a molecular weight of 350.39 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-5-fluoro-2-hydroxy-4,6-diphenylbenzoate is sourced from PubChem (CID 138973935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).