ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate

C21H16F2O3 — CID 71677173

IUPACethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate
SMILESCCOC(=O)c1c(O)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H16F2O3/c1-2-26-21(25)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)24)13-3-7-16(22)8-4-13/h3-12,24H,2H2,1H3
InChIKeyGKTWALKIQDRRLR-UHFFFAOYSA-N
MW354.35 g/mol
LogP5.18
Rot. Bonds4

About ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate

ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate (PubChem CID 71677173) has the molecular formula C21H16F2O3 and a molecular weight of 354.35 g/mol. Its IUPAC name is ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate
PubChem CID71677173
Molecular FormulaC21H16F2O3
Molecular Weight354.35 g/mol
Exact Mass354.11
IUPAC Nameethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate
SMILESCCOC(=O)c1c(O)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H16F2O3/c1-2-26-21(25)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)24)13-3-7-16(22)8-4-13/h3-12,24H,2H2,1H3
InChIKeyGKTWALKIQDRRLR-UHFFFAOYSA-N
XLogP5.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate 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 ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate?
The IUPAC name of ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate (CID 71677173) is ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate.
What is the SMILES notation for ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate?
The canonical SMILES for ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate is CCOC(=O)c1c(O)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate?
The InChIKey is GKTWALKIQDRRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2O3/c1-2-26-21(25)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)24)13-3-7-16(22)8-4-13/h3-12,24H,2H2,1H3.
What are the key properties of ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate?
ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate has a molecular weight of 354.35 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-bis(4-fluorophenyl)-6-hydroxybenzoate is sourced from PubChem (CID 71677173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).