ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate

C18H18F2O3 — CID 24786852

IUPACethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
SMILESCCOC(=O)c1c(O)c(CC)c(C)c(F)c1-c1ccc(F)cc1
InChIInChI=1S/C18H18F2O3/c1-4-13-10(3)16(20)14(11-6-8-12(19)9-7-11)15(17(13)21)18(22)23-5-2/h6-9,21H,4-5H2,1-3H3
InChIKeyPSWIRZFWFKOHPM-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.38
Rot. Bonds4

About ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate

ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate (PubChem CID 24786852) has the molecular formula C18H18F2O3 and a molecular weight of 320.34 g/mol. Its IUPAC name is ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Nameethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
PubChem CID24786852
Molecular FormulaC18H18F2O3
Molecular Weight320.34 g/mol
Exact Mass320.12
IUPAC Nameethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
SMILESCCOC(=O)c1c(O)c(CC)c(C)c(F)c1-c1ccc(F)cc1
InChIInChI=1S/C18H18F2O3/c1-4-13-10(3)16(20)14(11-6-8-12(19)9-7-11)15(17(13)21)18(22)23-5-2/h6-9,21H,4-5H2,1-3H3
InChIKeyPSWIRZFWFKOHPM-UHFFFAOYSA-N
XLogP4.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate?
The IUPAC name of ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate (CID 24786852) is ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate.
What is the SMILES notation for ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate?
The canonical SMILES for ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate is CCOC(=O)c1c(O)c(CC)c(C)c(F)c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate?
The InChIKey is PSWIRZFWFKOHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O3/c1-4-13-10(3)16(20)14(11-6-8-12(19)9-7-11)15(17(13)21)18(22)23-5-2/h6-9,21H,4-5H2,1-3H3.
What are the key properties of ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate?
ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate has a molecular weight of 320.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate is sourced from PubChem (CID 24786852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).