ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate

C15H13FO3 — CID 125477835

IUPACethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C15H13FO3/c1-2-19-15(18)13-8-5-11(9-14(13)17)10-3-6-12(16)7-4-10/h3-9,17H,2H2,1H3
InChIKeyUINYWBYBBNXFOF-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.38
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate

ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate (PubChem CID 125477835) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
PubChem CID125477835
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Nameethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
SMILESCCOC(=O)c1ccc(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C15H13FO3/c1-2-19-15(18)13-8-5-11(9-14(13)17)10-3-6-12(16)7-4-10/h3-9,17H,2H2,1H3
InChIKeyUINYWBYBBNXFOF-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
CID 51042654
ethyl 4-[4-(4-ethoxycarbonyl-3-hydroxyphenyl)-2,5-dimethoxyphenyl]-2-hydroxybenzoate
CID 175788176
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 2-hydroxy-4-[2-(trifluoromethoxy)phenyl]benzoate
CID 134633108
3-[1-(4-ethoxycarbonyl-3-hydroxyphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoate
CID 4624927
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 4,5-difluoro-2-hydroxybenzoate
CID 18452909
(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 7290825
ethyl 5-[5-(4-fluorophenyl)-2-hydroxyphenyl]-2H-triazole-4-carboxylate
CID 169401903
diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]benzene-1,2-dicarboxylate
CID 160720980
ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
CID 156896155
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate (CID 125477835) is ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate is CCOC(=O)c1ccc(-c2ccc(F)cc2)cc1O.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate?
The InChIKey is UINYWBYBBNXFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-2-19-15(18)13-8-5-11(9-14(13)17)10-3-6-12(16)7-4-10/h3-9,17H,2H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate?
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate has a molecular weight of 260.26 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate is sourced from PubChem (CID 125477835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).