ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate

C21H17FO3 — CID 15015057

IUPACethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate
SMILESCCOC(=O)c1c(O)cc(-c2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H17FO3/c1-2-25-21(24)20-18(15-8-10-17(22)11-9-15)12-16(13-19(20)23)14-6-4-3-5-7-14/h3-13,23H,2H2,1H3
InChIKeyVOCKWTYVPFVXJX-UHFFFAOYSA-N
MW336.36 g/mol
LogP5.04
Rot. Bonds4

About ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate

ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate (PubChem CID 15015057) has the molecular formula C21H17FO3 and a molecular weight of 336.36 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate
PubChem CID15015057
Molecular FormulaC21H17FO3
Molecular Weight336.36 g/mol
Exact Mass336.12
IUPAC Nameethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate
SMILESCCOC(=O)c1c(O)cc(-c2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H17FO3/c1-2-25-21(24)20-18(15-8-10-17(22)11-9-15)12-16(13-19(20)23)14-6-4-3-5-7-14/h3-13,23H,2H2,1H3
InChIKeyVOCKWTYVPFVXJX-UHFFFAOYSA-N
XLogP5.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate 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-fluorophenyl)-6-hydroxy-4-phenylbenzoate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate (CID 15015057) is ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate is CCOC(=O)c1c(O)cc(-c2ccccc2)cc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate?
The InChIKey is VOCKWTYVPFVXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO3/c1-2-25-21(24)20-18(15-8-10-17(22)11-9-15)12-16(13-19(20)23)14-6-4-3-5-7-14/h3-13,23H,2H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate?
ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate has a molecular weight of 336.36 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-6-hydroxy-4-phenylbenzoate is sourced from PubChem (CID 15015057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).